5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine

C18H24N6 — CID 57404842

IUPAC5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2ccnc(NC3CCCC3)n2)c(CC2CC2)n1
InChIInChI=1S/C18H24N6/c1-19-17-21-11-14(16(24-17)10-12-6-7-12)15-8-9-20-18(23-15)22-13-4-2-3-5-13/h8-9,11-13H,2-7,10H2,1H3,(H,19,21,24)(H,20,22,23)
InChIKeyLJLFUUKTMCPDBS-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.28
Rot. Bonds6

About 5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine

5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine (PubChem CID 57404842) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine
PubChem CID57404842
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2ccnc(NC3CCCC3)n2)c(CC2CC2)n1
InChIInChI=1S/C18H24N6/c1-19-17-21-11-14(16(24-17)10-12-6-7-12)15-8-9-20-18(23-15)22-13-4-2-3-5-13/h8-9,11-13H,2-7,10H2,1H3,(H,19,21,24)(H,20,22,23)
InChIKeyLJLFUUKTMCPDBS-UHFFFAOYSA-N
XLogP3.28
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine (CID 57404842) is 5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine is CNc1ncc(-c2ccnc(NC3CCCC3)n2)c(CC2CC2)n1.
What is the InChIKey of 5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine?
The InChIKey is LJLFUUKTMCPDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-19-17-21-11-14(16(24-17)10-12-6-7-12)15-8-9-20-18(23-15)22-13-4-2-3-5-13/h8-9,11-13H,2-7,10H2,1H3,(H,19,21,24)(H,20,22,23).
What are the key properties of 5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine?
5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine has a molecular weight of 324.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopentylamino)pyrimidin-4-yl]-4-(cyclopropylmethyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 57404842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).