3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide

C13H20N4O — CID 75433273

IUPAC3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide
SMILESNC(=O)CC(Nc1ncccn1)C1CCCCC1
InChIInChI=1S/C13H20N4O/c14-12(18)9-11(10-5-2-1-3-6-10)17-13-15-7-4-8-16-13/h4,7-8,10-11H,1-3,5-6,9H2,(H2,14,18)(H,15,16,17)
InChIKeyKIVMQZUTFPZISL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.71
Rot. Bonds5

About 3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide

3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 75433273) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide
PubChem CID75433273
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide
SMILESNC(=O)CC(Nc1ncccn1)C1CCCCC1
InChIInChI=1S/C13H20N4O/c14-12(18)9-11(10-5-2-1-3-6-10)17-13-15-7-4-8-16-13/h4,7-8,10-11H,1-3,5-6,9H2,(H2,14,18)(H,15,16,17)
InChIKeyKIVMQZUTFPZISL-UHFFFAOYSA-N
XLogP1.71
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide?
The IUPAC name of 3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide (CID 75433273) is 3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide.
What is the SMILES notation for 3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide?
The canonical SMILES for 3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide is NC(=O)CC(Nc1ncccn1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide?
The InChIKey is KIVMQZUTFPZISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-12(18)9-11(10-5-2-1-3-6-10)17-13-15-7-4-8-16-13/h4,7-8,10-11H,1-3,5-6,9H2,(H2,14,18)(H,15,16,17).
What are the key properties of 3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide?
3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 75433273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).