3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide

C20H33N5O — CID 53174451

IUPAC3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1
InChIInChI=1S/C20H33N5O/c1-15(2)9-10-21-20(26)8-5-16-4-3-11-25(13-16)19-12-18(22-14-23-19)24-17-6-7-17/h12,14-17H,3-11,13H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyCCICBUFXEQOWEE-UHFFFAOYSA-N
MW359.52 g/mol
LogP3.21
Rot. Bonds9

About 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide

3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide (PubChem CID 53174451) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide
PubChem CID53174451
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1
InChIInChI=1S/C20H33N5O/c1-15(2)9-10-21-20(26)8-5-16-4-3-11-25(13-16)19-12-18(22-14-23-19)24-17-6-7-17/h12,14-17H,3-11,13H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyCCICBUFXEQOWEE-UHFFFAOYSA-N
XLogP3.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide (CID 53174451) is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1.
What is the InChIKey of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is CCICBUFXEQOWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-15(2)9-10-21-20(26)8-5-16-4-3-11-25(13-16)19-12-18(22-14-23-19)24-17-6-7-17/h12,14-17H,3-11,13H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide?
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 359.52 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 53174451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).