4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine

C14H23N5 — CID 42623737

IUPAC4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
SMILESCNC1CN(c2cc(CC3CCCC3)nc(N)n2)C1
InChIInChI=1S/C14H23N5/c1-16-12-8-19(9-12)13-7-11(17-14(15)18-13)6-10-4-2-3-5-10/h7,10,12,16H,2-6,8-9H2,1H3,(H2,15,17,18)
InChIKeyJMCRSQLZYHVXIW-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.20
Rot. Bonds4

About 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine

4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine (PubChem CID 42623737) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
PubChem CID42623737
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
SMILESCNC1CN(c2cc(CC3CCCC3)nc(N)n2)C1
InChIInChI=1S/C14H23N5/c1-16-12-8-19(9-12)13-7-11(17-14(15)18-13)6-10-4-2-3-5-10/h7,10,12,16H,2-6,8-9H2,1H3,(H2,15,17,18)
InChIKeyJMCRSQLZYHVXIW-UHFFFAOYSA-N
XLogP1.20
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623810
4-cyclopentyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623888
4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 141306289
4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 24995881
4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine
CID 42623653
4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
CID 66740771
4-N-butyl-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 24745833
4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42624052
4-[3-(methylamino)azetidin-1-yl]-6-(2-methylpropoxymethyl)pyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(propan-2-yloxymethyl)pyrimidin-2-amine
CID 162252566
4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine
CID 135305249
2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol
CID 135305239
4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine
CID 11184773

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine (CID 42623737) is 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine is CNC1CN(c2cc(CC3CCCC3)nc(N)n2)C1.
What is the InChIKey of 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The InChIKey is JMCRSQLZYHVXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-16-12-8-19(9-12)13-7-11(17-14(15)18-13)6-10-4-2-3-5-10/h7,10,12,16H,2-6,8-9H2,1H3,(H2,15,17,18).
What are the key properties of 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 42623737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).