5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol

C20H35N5O — CID 23085954

IUPAC5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol
SMILESOCCCCCN1CCC(Nc2nccc(N3CCCCCC3)n2)CC1
InChIInChI=1S/C20H35N5O/c26-17-7-3-4-12-24-15-9-18(10-16-24)22-20-21-11-8-19(23-20)25-13-5-1-2-6-14-25/h8,11,18,26H,1-7,9-10,12-17H2,(H,21,22,23)
InChIKeyMQDJBAWDZCUXNY-UHFFFAOYSA-N
MW361.53 g/mol
LogP2.90
Rot. Bonds8

About 5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol

5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol (PubChem CID 23085954) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is 5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol
PubChem CID23085954
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol
SMILESOCCCCCN1CCC(Nc2nccc(N3CCCCCC3)n2)CC1
InChIInChI=1S/C20H35N5O/c26-17-7-3-4-12-24-15-9-18(10-16-24)22-20-21-11-8-19(23-20)25-13-5-1-2-6-14-25/h8,11,18,26H,1-7,9-10,12-17H2,(H,21,22,23)
InChIKeyMQDJBAWDZCUXNY-UHFFFAOYSA-N
XLogP2.90
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(azepan-1-yl)-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 66902865
4-(azepan-1-yl)-N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 66903182
3-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol
CID 23086074
4-(azepan-1-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine
CID 66903517
4-(azepan-1-yl)-N-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidin-4-yl]pyrimidin-2-amine
CID 66903427
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine
CID 66903567
4-(azepan-1-yl)-N-[1-(2-ethylhexyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 23086379
4-(azepan-1-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 66903769
4-(azepan-1-yl)-N-(1-cyclooctylpyrrolidin-3-yl)pyrimidin-2-amine
CID 66904117
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
4-(azepan-1-yl)-N-[1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 23086210

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol?
The IUPAC name of 5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol (CID 23085954) is 5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol is OCCCCCN1CCC(Nc2nccc(N3CCCCCC3)n2)CC1.
What is the InChIKey of 5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol?
The InChIKey is MQDJBAWDZCUXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c26-17-7-3-4-12-24-15-9-18(10-16-24)22-20-21-11-8-19(23-20)25-13-5-1-2-6-14-25/h8,11,18,26H,1-7,9-10,12-17H2,(H,21,22,23).
What are the key properties of 5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol?
5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol has a molecular weight of 361.53 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]pentan-1-ol is sourced from PubChem (CID 23085954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).