2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

C17H27N7O — CID 56754203

IUPAC2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCC(C)Cc1nc(CN(C)c2nc(N(C)C)nc3c2CCNC3)no1
InChIInChI=1S/C17H27N7O/c1-11(2)8-15-20-14(22-25-15)10-24(5)16-12-6-7-18-9-13(12)19-17(21-16)23(3)4/h11,18H,6-10H2,1-5H3
InChIKeyBHUIDXXDEFKEON-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.41
Rot. Bonds6

About 2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine

2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (PubChem CID 56754203) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
PubChem CID56754203
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
SMILESCC(C)Cc1nc(CN(C)c2nc(N(C)C)nc3c2CCNC3)no1
InChIInChI=1S/C17H27N7O/c1-11(2)8-15-20-14(22-25-15)10-24(5)16-12-6-7-18-9-13(12)19-17(21-16)23(3)4/h11,18H,6-10H2,1-5H3
InChIKeyBHUIDXXDEFKEON-UHFFFAOYSA-N
XLogP1.41
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

1-[2-amino-4-(butylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 89752420
5-Cyclopropyl-3-[[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 133460446
5-cyclopropyl-3-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2,4-oxadiazole
CID 53607154
1-[7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 56862674
5-Ethyl-4-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-YL]piperidin-1-YL}-6-methylpyrimidin-2-amine
CID 72877263
4,8-Dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 73439379
N,N-diethyl-2-[4-(methylamino)-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]acetamide
CID 92625511
4-Methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110248555
1-[2-[7-(cyclopropylmethyl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110265912
1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 118740192
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine dihydrochloride
CID 56906253
N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56755030

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine (CID 56754203) is 2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is CC(C)Cc1nc(CN(C)c2nc(N(C)C)nc3c2CCNC3)no1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
The InChIKey is BHUIDXXDEFKEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-11(2)8-15-20-14(22-25-15)10-24(5)16-12-6-7-18-9-13(12)19-17(21-16)23(3)4/h11,18H,6-10H2,1-5H3.
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine has a molecular weight of 345.45 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 56754203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).