6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine

C12H23N5 — CID 19135694

IUPAC6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
SMILESCC(C)CCNc1ncnc(NC(C)C)c1N
InChIInChI=1S/C12H23N5/c1-8(2)5-6-14-11-10(13)12(16-7-15-11)17-9(3)4/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyRRGASXUUDGDWTP-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.34
Rot. Bonds6

About 6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine

6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine (PubChem CID 19135694) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
PubChem CID19135694
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
SMILESCC(C)CCNc1ncnc(NC(C)C)c1N
InChIInChI=1S/C12H23N5/c1-8(2)5-6-14-11-10(13)12(16-7-15-11)17-9(3)4/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyRRGASXUUDGDWTP-UHFFFAOYSA-N
XLogP2.34
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3-methylbutyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145751
4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19136831
6-N-methyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19134968
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147842
6-N-(3-methylbutyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19144101
2-N-(3-methylbutyl)pyridine-2,3,4-triamine
CID 130593940
4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138287
6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22542416
4-[[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19153151
4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19153133
4-N-(4-butoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19143072
6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine (CID 19135694) is 6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine is CC(C)CCNc1ncnc(NC(C)C)c1N.
What is the InChIKey of 6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
The InChIKey is RRGASXUUDGDWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-8(2)5-6-14-11-10(13)12(16-7-15-11)17-9(3)4/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine?
6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine has a molecular weight of 237.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).