1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol

C15H24N4O — CID 110271365

IUPAC1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol
SMILESCc1cc(N2CCC(O)CC2)nc(C2CCCN2C)n1
InChIInChI=1S/C15H24N4O/c1-11-10-14(19-8-5-12(20)6-9-19)17-15(16-11)13-4-3-7-18(13)2/h10,12-13,20H,3-9H2,1-2H3
InChIKeyXBQZRAMFFYUTCH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.51
Rot. Bonds2

About 1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol

1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 110271365) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID110271365
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol
SMILESCc1cc(N2CCC(O)CC2)nc(C2CCCN2C)n1
InChIInChI=1S/C15H24N4O/c1-11-10-14(19-8-5-12(20)6-9-19)17-15(16-11)13-4-3-7-18(13)2/h10,12-13,20H,3-9H2,1-2H3
InChIKeyXBQZRAMFFYUTCH-UHFFFAOYSA-N
XLogP1.51
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-Dimethylpyrimidin-4-yl)piperidin-3-ol
CID 6488733
[4-Methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol
CID 121561616
1-(2,6-Dimethylpyrimidin-4-yl)piperidin-4-ol
CID 40145619
trans-3-[(2,6-Dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
CID 75506056
(3R*,4R*)-3,4-dimethyl-1-[6-methyl-2-(1-piperidinyl)-4-pyrimidinyl]-3-pyrrolidinol
CID 72881995
8-(2,6-Dimethylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 45876192
(3S*,4S*)-4-(4-methylpiperazin-1-yl)-1-(2-methyl-6-propylpyrimidin-4-yl)pyrrolidin-3-ol
CID 50948975
(3S,4S)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 50961476
1-[2-Methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methanamine
CID 56723651
[(3R*,4R*)-4-[(4-ethylpiperazin-1-yl)methyl]-1-(6-isopropyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 72888560
(3S)-N,N-dimethyl-1-(6-methyl-2-propylpyrimidin-4-yl)pyrrolidin-3-amine
CID 95144436
(2R)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95353403

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol (CID 110271365) is 1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol is Cc1cc(N2CCC(O)CC2)nc(C2CCCN2C)n1.
What is the InChIKey of 1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is XBQZRAMFFYUTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-10-14(19-8-5-12(20)6-9-19)17-15(16-11)13-4-3-7-18(13)2/h10,12-13,20H,3-9H2,1-2H3.
What are the key properties of 1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol?
1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 276.38 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 110271365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).