1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol

C21H35N5O — CID 70719484

IUPAC1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2ccnc(NC3CCCN(CC4CCCCC4)C3)n2)CC1
InChIInChI=1S/C21H35N5O/c27-19-9-13-26(14-10-19)20-8-11-22-21(24-20)23-18-7-4-12-25(16-18)15-17-5-2-1-3-6-17/h8,11,17-19,27H,1-7,9-10,12-16H2,(H,22,23,24)
InChIKeyXLPNXNJBNKYBHW-UHFFFAOYSA-N
MW373.55 g/mol
LogP2.89
Rot. Bonds5

About 1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol

1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 70719484) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
PubChem CID70719484
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2ccnc(NC3CCCN(CC4CCCCC4)C3)n2)CC1
InChIInChI=1S/C21H35N5O/c27-19-9-13-26(14-10-19)20-8-11-22-21(24-20)23-18-7-4-12-25(16-18)15-17-5-2-1-3-6-17/h8,11,17-19,27H,1-7,9-10,12-16H2,(H,22,23,24)
InChIKeyXLPNXNJBNKYBHW-UHFFFAOYSA-N
XLogP2.89
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol with MolForge

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Related Compounds

4-(azepan-1-yl)-N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 66903182
4-(azepan-1-yl)-N-[1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 23086210
4-(azepan-1-yl)-N-[1-(2-methylpentyl)piperidin-3-yl]pyrimidin-2-amine
CID 23086135
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
[4-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenyl]boronic acid
CID 23086415
(2S,3R,4R)-5-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2,3-dimethylpentane-1,4-diol
CID 142906400
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol
CID 23086371
4-(azepan-1-yl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086216
4-(azepan-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 66903863
4-(azepan-1-yl)-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 23086015
4-(azepan-1-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine
CID 66903517

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol (CID 70719484) is 1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2ccnc(NC3CCCN(CC4CCCCC4)C3)n2)CC1.
What is the InChIKey of 1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is XLPNXNJBNKYBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c27-19-9-13-26(14-10-19)20-8-11-22-21(24-20)23-18-7-4-12-25(16-18)15-17-5-2-1-3-6-17/h8,11,17-19,27H,1-7,9-10,12-16H2,(H,22,23,24).
What are the key properties of 1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol?
1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 373.55 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(cyclohexylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 70719484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).