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

C14H25N5 — CID 115145014

IUPAC4-N-(2,2-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCCC(C)(C)CNc1nc(NC)nc2c1CNCC2
InChIInChI=1S/C14H25N5/c1-5-14(2,3)9-17-12-10-8-16-7-6-11(10)18-13(15-4)19-12/h16H,5-9H2,1-4H3,(H2,15,17,18,19)
InChIKeyYIVKTMFHBHEDJR-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.01
Rot. Bonds5

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

4-N-(2,2-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 115145014) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-(2,2-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID115145014
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-(2,2-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCCC(C)(C)CNc1nc(NC)nc2c1CNCC2
InChIInChI=1S/C14H25N5/c1-5-14(2,3)9-17-12-10-8-16-7-6-11(10)18-13(15-4)19-12/h16H,5-9H2,1-4H3,(H2,15,17,18,19)
InChIKeyYIVKTMFHBHEDJR-UHFFFAOYSA-N
XLogP2.01
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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

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

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Related Compounds

4-N-(3,3-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145011
2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115144745
N-(cyclobutylmethyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145300
2-(2-ethoxypropan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737893
2-(2-ethoxybutan-2-yl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739564
2-(2-methoxybutan-2-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737735
2-cyclobutyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105473130
2-(2,2-dimethylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 129287130
N-ethyl-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 84657575
4-(4-methylpentylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carbonitrile
CID 115145137
4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738589
N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 155687791

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,2-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (CID 115145014) is 4-N-(2,2-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is CCC(C)(C)CNc1nc(NC)nc2c1CNCC2.
What is the InChIKey of 4-N-(2,2-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is YIVKTMFHBHEDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-5-14(2,3)9-17-12-10-8-16-7-6-11(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-(2,2-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
4-N-(2,2-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, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylbutyl)-2-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 115145014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).