4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde

C14H21N5O — CID 112855829

IUPAC4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2cc(NC3CCCC3)ncn2)CC1
InChIInChI=1S/C14H21N5O/c20-11-18-5-7-19(8-6-18)14-9-13(15-10-16-14)17-12-3-1-2-4-12/h9-12H,1-8H2,(H,15,16,17)
InChIKeyUSDDJHSNPQTPKP-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.11
Rot. Bonds4

About 4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde

4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde (PubChem CID 112855829) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
PubChem CID112855829
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2cc(NC3CCCC3)ncn2)CC1
InChIInChI=1S/C14H21N5O/c20-11-18-5-7-19(8-6-18)14-9-13(15-10-16-14)17-12-3-1-2-4-12/h9-12H,1-8H2,(H,15,16,17)
InChIKeyUSDDJHSNPQTPKP-UHFFFAOYSA-N
XLogP1.11
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112855879
N-cycloheptyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863363
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
4-[6-(prop-2-enylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112854888
N-cyclohexyl-6-propan-2-ylpyrimidin-4-amine;ethane;piperidine-1-carbaldehyde
CID 144655922
[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 115265154
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
N-cyclopropyl-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112854724
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060204
methyl 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 91827802
4-[6-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858270
4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112856656

Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde (CID 112855829) is 4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde is O=CN1CCN(c2cc(NC3CCCC3)ncn2)CC1.
What is the InChIKey of 4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The InChIKey is USDDJHSNPQTPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c20-11-18-5-7-19(8-6-18)14-9-13(15-10-16-14)17-12-3-1-2-4-12/h9-12H,1-8H2,(H,15,16,17).
What are the key properties of 4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde?
4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde has a molecular weight of 275.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 112855829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).