[1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C21H35N5O — CID 133382245

IUPAC[1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCC2(N3CCCCC3)CCCCC2)ncn1
InChIInChI=1S/C21H35N5O/c27-15-18-8-7-13-26(18)20-14-19(23-17-24-20)22-16-21(9-3-1-4-10-21)25-11-5-2-6-12-25/h14,17-18,27H,1-13,15-16H2,(H,22,23,24)
InChIKeyXCEJMUFNFDWKHJ-UHFFFAOYSA-N
MW373.55 g/mol
LogP3.04
Rot. Bonds6

About [1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133382245) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is [1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133382245
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name[1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCC2(N3CCCCC3)CCCCC2)ncn1
InChIInChI=1S/C21H35N5O/c27-15-18-8-7-13-26(18)20-14-19(23-17-24-20)22-16-21(9-3-1-4-10-21)25-11-5-2-6-12-25/h14,17-18,27H,1-13,15-16H2,(H,22,23,24)
InChIKeyXCEJMUFNFDWKHJ-UHFFFAOYSA-N
XLogP3.04
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[1-[6-[[1-(2-fluorophenyl)cyclopropyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133311452
2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]acetic acid
CID 122047255
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133297325
[1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133491863
[1-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133399563
[(2R)-1-[6-[[(2S)-1,4-dioxan-2-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 129490525
[(2R)-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764085
4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 95763811
[(2R)-1-[6-[[(1S,2R)-2-methylcyclopropyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764095
[(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763960

Frequently Asked Questions

What is the IUPAC name of [1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133382245) is [1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(NCC2(N3CCCCC3)CCCCC2)ncn1.
What is the InChIKey of [1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is XCEJMUFNFDWKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c27-15-18-8-7-13-26(18)20-14-19(23-17-24-20)22-16-21(9-3-1-4-10-21)25-11-5-2-6-12-25/h14,17-18,27H,1-13,15-16H2,(H,22,23,24).
What are the key properties of [1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 373.55 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[(1-piperidin-1-ylcyclohexyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133382245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).