4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine

C14H25N5 — CID 80854484

IUPAC4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine
SMILESCC(C)CC1(CNc2cc(N)nc(N)n2)CCCC1
InChIInChI=1S/C14H25N5/c1-10(2)8-14(5-3-4-6-14)9-17-12-7-11(15)18-13(16)19-12/h7,10H,3-6,8-9H2,1-2H3,(H5,15,16,17,18,19)
InChIKeyRDBAKHBTFZDGKQ-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.66
Rot. Bonds5

About 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine

4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine (PubChem CID 80854484) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine
PubChem CID80854484
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine
SMILESCC(C)CC1(CNc2cc(N)nc(N)n2)CCCC1
InChIInChI=1S/C14H25N5/c1-10(2)8-14(5-3-4-6-14)9-17-12-7-11(15)18-13(16)19-12/h7,10H,3-6,8-9H2,1-2H3,(H5,15,16,17,18,19)
InChIKeyRDBAKHBTFZDGKQ-UHFFFAOYSA-N
XLogP2.66
TPSA89.85 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 ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770441
2-ethyl-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 114126574
6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
CID 81132129
2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine
CID 80839139
6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
CID 115320957
1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine
CID 103078708
4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80838837
5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine
CID 103518322
5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine
CID 134697657
5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine
CID 80854553
4-bromo-5-fluoro-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]benzene-1,2-diamine
CID 116736120
6-hydrazinyl-2,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidin-4-amine
CID 80928736

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine (CID 80854484) is 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine is CC(C)CC1(CNc2cc(N)nc(N)n2)CCCC1.
What is the InChIKey of 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine?
The InChIKey is RDBAKHBTFZDGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-10(2)8-14(5-3-4-6-14)9-17-12-7-11(15)18-13(16)19-12/h7,10H,3-6,8-9H2,1-2H3,(H5,15,16,17,18,19).
What are the key properties of 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine?
4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine has a molecular weight of 263.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80854484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).