N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde

C21H38N4O — CID 144655922

IUPACN-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde
SMILESCC.CC(C)c1cc(NC2CCCCC2)ncn1.O=CN1CCCCC1
InChIInChI=1S/C13H21N3.C6H11NO.C2H6/c1-10(2)12-8-13(15-9-14-12)16-11-6-4-3-5-7-11;8-6-7-4-2-1-3-5-7;1-2/h8-11H,3-7H2,1-2H3,(H,14,15,16);6H,1-5H2;1-2H3
InChIKeyPWKOYPITKNVKRB-UHFFFAOYSA-N
MW362.56 g/mol
LogP5.00
Rot. Bonds4

About N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde

N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde (PubChem CID 144655922) has the molecular formula C21H38N4O and a molecular weight of 362.56 g/mol. Its IUPAC name is N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde.

Molecular Properties

Compound NameN-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde
PubChem CID144655922
Molecular FormulaC21H38N4O
Molecular Weight362.56 g/mol
Exact Mass362.30
IUPAC NameN-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde
SMILESCC.CC(C)c1cc(NC2CCCCC2)ncn1.O=CN1CCCCC1
InChIInChI=1S/C13H21N3.C6H11NO.C2H6/c1-10(2)12-8-13(15-9-14-12)16-11-6-4-3-5-7-11;8-6-7-4-2-1-3-5-7;1-2/h8-11H,3-7H2,1-2H3,(H,14,15,16);6H,1-5H2;1-2H3
InChIKeyPWKOYPITKNVKRB-UHFFFAOYSA-N
XLogP5.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112855829
6-propan-2-yl-N-(thian-4-yl)pyrimidin-4-amine
CID 115620936
2,2-dimethyl-1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 90245628
tert-butyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849465
1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529
1-[4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidin-1-yl]butan-1-one
CID 90248807
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
6-propan-2-yl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrimidin-4-amine
CID 154735994
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 126724510
N-cyclohexyl-6-propan-2-yloxypyrimidin-4-amine
CID 66326722
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde?
The IUPAC name of N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde (CID 144655922) is N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde.
What is the SMILES notation for N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde?
The canonical SMILES for N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde is CC.CC(C)c1cc(NC2CCCCC2)ncn1.O=CN1CCCCC1.
What is the InChIKey of N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde?
The InChIKey is PWKOYPITKNVKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.C6H11NO.C2H6/c1-10(2)12-8-13(15-9-14-12)16-11-6-4-3-5-7-11;8-6-7-4-2-1-3-5-7;1-2/h8-11H,3-7H2,1-2H3,(H,14,15,16);6H,1-5H2;1-2H3.
What are the key properties of N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde?
N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde has a molecular weight of 362.56 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde is sourced from PubChem (CID 144655922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).