4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine

C17H30N4 — CID 80838837

IUPAC4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCC2(CC(C)C)CCCC2)n1
InChIInChI=1S/C17H30N4/c1-4-10-18-16-19-11-7-15(21-16)20-13-17(12-14(2)3)8-5-6-9-17/h7,11,14H,4-6,8-10,12-13H2,1-3H3,(H2,18,19,20,21)
InChIKeyZTPUUZQNXHLQEB-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.32
Rot. Bonds8

About 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine

4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80838837) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80838837
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCC2(CC(C)C)CCCC2)n1
InChIInChI=1S/C17H30N4/c1-4-10-18-16-19-11-7-15(21-16)20-13-17(12-14(2)3)8-5-6-9-17/h7,11,14H,4-6,8-10,12-13H2,1-3H3,(H2,18,19,20,21)
InChIKeyZTPUUZQNXHLQEB-UHFFFAOYSA-N
XLogP4.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 114102533
2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-6-N-propylpyrazine-2,6-diamine
CID 80839139
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine
CID 105420883
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975246
4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132040
[1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457191
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180272
4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 106014980
3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine
CID 106875830
4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine
CID 80854484
4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine
CID 80886291

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine (CID 80838837) is 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(NCC2(CC(C)C)CCCC2)n1.
What is the InChIKey of 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is ZTPUUZQNXHLQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-4-10-18-16-19-11-7-15(21-16)20-13-17(12-14(2)3)8-5-6-9-17/h7,11,14H,4-6,8-10,12-13H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine?
4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80838837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).