3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide

C19H31N5O — CID 53174507

IUPAC3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1
InChIInChI=1S/C19H31N5O/c1-14(2)11-20-19(25)8-5-15-4-3-9-24(12-15)18-10-17(21-13-22-18)23-16-6-7-16/h10,13-16H,3-9,11-12H2,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyDVUPPLDBPOZJQE-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.82
Rot. Bonds8

About 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide

3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide (PubChem CID 53174507) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide
PubChem CID53174507
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1
InChIInChI=1S/C19H31N5O/c1-14(2)11-20-19(25)8-5-15-4-3-9-24(12-15)18-10-17(21-13-22-18)23-16-6-7-16/h10,13-16H,3-9,11-12H2,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyDVUPPLDBPOZJQE-UHFFFAOYSA-N
XLogP2.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propan-2-ylpropanamide
CID 129369239
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 53174502
3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 129430457
3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methylbutyl)propanamide
CID 95102952
3-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 95103142
3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 95103173
ethyl 4-[3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propanoylamino]piperidine-1-carboxylate
CID 95103267
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 53174462
3-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2,4-dimethoxyphenyl)propanamide
CID 95103212
3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(3-methoxyphenyl)propanamide
CID 95103263
3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 95103177
1-(4-cyclohexylpiperazin-1-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propan-1-one
CID 53174511

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide (CID 53174507) is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCC1CCCN(c2cc(NC3CC3)ncn2)C1.
What is the InChIKey of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is DVUPPLDBPOZJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-14(2)11-20-19(25)8-5-15-4-3-9-24(12-15)18-10-17(21-13-22-18)23-16-6-7-16/h10,13-16H,3-9,11-12H2,1-2H3,(H,20,25)(H,21,22,23).
What are the key properties of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide?
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.82, 8 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 53174507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).