4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine

C14H22N4 — CID 80967316

IUPAC4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC2CCCC2)nc(C2CC2)n1
InChIInChI=1S/C14H22N4/c1-15-12-8-13(16-9-10-4-2-3-5-10)18-14(17-12)11-6-7-11/h8,10-11H,2-7,9H2,1H3,(H2,15,16,17,18)
InChIKeyCAAPOOAXAMUPRR-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.00
Rot. Bonds5

About 4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine

4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80967316) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80967316
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC2CCCC2)nc(C2CC2)n1
InChIInChI=1S/C14H22N4/c1-15-12-8-13(16-9-10-4-2-3-5-10)18-14(17-12)11-6-7-11/h8,10-11H,2-7,9H2,1H3,(H2,15,16,17,18)
InChIKeyCAAPOOAXAMUPRR-UHFFFAOYSA-N
XLogP3.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
2-cyclopropyl-6-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80961722
2-cyclopropyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967552
4-N-(cyclobutylmethyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401346
4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138643
1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967408
2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80934958
1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80958761
4-N-(2-butoxyethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80957513
2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955816
3-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80960076
2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80967531

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine (CID 80967316) is 4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NCC2CCCC2)nc(C2CC2)n1.
What is the InChIKey of 4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is CAAPOOAXAMUPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-15-12-8-13(16-9-10-4-2-3-5-10)18-14(17-12)11-6-7-11/h8,10-11H,2-7,9H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine?
4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 246.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).