1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol

C14H22N4O — CID 112629715

IUPAC1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCNc1cc(N2CCC(C(C)O)C2)nc(C2CC2)n1
InChIInChI=1S/C14H22N4O/c1-9(19)11-5-6-18(8-11)13-7-12(15-2)16-14(17-13)10-3-4-10/h7,9-11,19H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyIHJQDYUFCKEMCL-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.60
Rot. Bonds4

About 1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol

1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol (PubChem CID 112629715) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
PubChem CID112629715
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCNc1cc(N2CCC(C(C)O)C2)nc(C2CC2)n1
InChIInChI=1S/C14H22N4O/c1-9(19)11-5-6-18(8-11)13-7-12(15-2)16-14(17-13)10-3-4-10/h7,9-11,19H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyIHJQDYUFCKEMCL-UHFFFAOYSA-N
XLogP1.60
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 112629777
2-cyclopropyl-N-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541814
2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 80955969
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80957124
2-cyclopropyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80956626
2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 80959321
2-cyclopropyl-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 81469286
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766561
1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629686
6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80958988
1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 112629787
2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 80960691

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol (CID 112629715) is 1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol is CNc1cc(N2CCC(C(C)O)C2)nc(C2CC2)n1.
What is the InChIKey of 1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is IHJQDYUFCKEMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9(19)11-5-6-18(8-11)13-7-12(15-2)16-14(17-13)10-3-4-10/h7,9-11,19H,3-6,8H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 262.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112629715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).