4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

C14H25N5 — CID 115145011

IUPAC4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc2c(c(NCCC(C)(C)C)n1)CNCC2
InChIInChI=1S/C14H25N5/c1-14(2,3)6-8-17-12-10-9-16-7-5-11(10)18-13(15-4)19-12/h16H,5-9H2,1-4H3,(H2,15,17,18,19)
InChIKeyDBSHRTUMYTYEAD-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.01
Rot. Bonds4

About 4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 115145011) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID115145011
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc2c(c(NCCC(C)(C)C)n1)CNCC2
InChIInChI=1S/C14H25N5/c1-14(2,3)6-8-17-12-10-9-16-7-5-11(10)18-13(15-4)19-12/h16H,5-9H2,1-4H3,(H2,15,17,18,19)
InChIKeyDBSHRTUMYTYEAD-UHFFFAOYSA-N
XLogP2.01
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,2-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145014
2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115144745
4-(4-methylpentylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carbonitrile
CID 115145137
N-(cyclobutylmethyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145300
2-cyclobutyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105473130
2-methyl-N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145315
2-(2-ethoxypropan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737893
N,2-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 20753396
N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 155687791
N-[(4-bromophenyl)methyl]-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145286
N-benzyl-2-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117102079
N-ethyl-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 84657575

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (CID 115145011) is 4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is CNc1nc2c(c(NCCC(C)(C)C)n1)CNCC2.
What is the InChIKey of 4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is DBSHRTUMYTYEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-14(2,3)6-8-17-12-10-9-16-7-5-11(10)18-13(15-4)19-12/h16H,5-9H2,1-4H3,(H2,15,17,18,19).
What are the key properties of 4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 263.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 115145011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).