4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine

C14H25N5 — CID 115263990

IUPAC4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine
SMILESCC(CCN)Nc1cc(NCC2CCCC2)ncn1
InChIInChI=1S/C14H25N5/c1-11(6-7-15)19-14-8-13(17-10-18-14)16-9-12-4-2-3-5-12/h8,10-12H,2-7,9,15H2,1H3,(H2,16,17,18,19)
InChIKeyFCVMWHNQVWLMRR-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.23
Rot. Bonds7

About 4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine

4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine (PubChem CID 115263990) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine
PubChem CID115263990
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine
SMILESCC(CCN)Nc1cc(NCC2CCCC2)ncn1
InChIInChI=1S/C14H25N5/c1-11(6-7-15)19-14-8-13(17-10-18-14)16-9-12-4-2-3-5-12/h8,10-12H,2-7,9,15H2,1H3,(H2,16,17,18,19)
InChIKeyFCVMWHNQVWLMRR-UHFFFAOYSA-N
XLogP2.23
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine (CID 115263990) is 4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine is CC(CCN)Nc1cc(NCC2CCCC2)ncn1.
What is the InChIKey of 4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine?
The InChIKey is FCVMWHNQVWLMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11(6-7-15)19-14-8-13(17-10-18-14)16-9-12-4-2-3-5-12/h8,10-12H,2-7,9,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine?
4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminobutan-2-yl)-6-N-(cyclopentylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115263990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).