3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide

C18H29N5O — CID 53188611

IUPAC3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1
InChIInChI=1S/C18H29N5O/c1-13(2)21-18(24)6-3-14-7-9-23(10-8-14)17-11-16(19-12-20-17)22-15-4-5-15/h11-15H,3-10H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyQZDKFYVVJIVABE-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.57
Rot. Bonds7

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

3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide (PubChem CID 53188611) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide
PubChem CID53188611
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1
InChIInChI=1S/C18H29N5O/c1-13(2)21-18(24)6-3-14-7-9-23(10-8-14)17-11-16(19-12-20-17)22-15-4-5-15/h11-15H,3-10H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyQZDKFYVVJIVABE-UHFFFAOYSA-N
XLogP2.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
1-((3S,4S)-4-amino-1-(6-(cyclopropylamino)pyrimidin-4-yl)pyrrolidin-3-yl)piperidin-2-one
CID 53318987
N-Cyclohexyl-1-(pyrimidin-2-YL)piperidine-4-carboxamide
CID 24792244
[1-[6-(Dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 155515923
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
N-(Cyclohexylmethyl)-1-(pyrimidin-2-YL)piperidine-3-carboxamide
CID 3223371
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207
3-{1-[(2-amino-5-pyrimidinyl)methyl]-4-piperidinyl}-N-cyclopropylpropanamide
CID 42159894
1-(cyclopropanecarbonyl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501322
1-N-cyclopropyl-4-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-1,4-dicarboxamide
CID 53501342
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]cyclopropanecarboxamide
CID 71795033

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide (CID 53188611) is 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1.
What is the InChIKey of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide?
The InChIKey is QZDKFYVVJIVABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-13(2)21-18(24)6-3-14-7-9-23(10-8-14)17-11-16(19-12-20-17)22-15-4-5-15/h11-15H,3-10H2,1-2H3,(H,21,24)(H,19,20,22).
What are the key properties of 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide?
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-propan-2-ylpropanamide has a molecular weight of 331.46 g/mol, XLogP of 2.57, 7 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-4-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 53188611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).