2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide

C17H24ClN5O — CID 133434322

IUPAC2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(c2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C17H24ClN5O/c1-11(17(24)19-13-4-5-13)22-6-8-23(9-7-22)15-10-14(18)20-16(21-15)12-2-3-12/h10-13H,2-9H2,1H3,(H,19,24)
InChIKeyNXFHNHLWULEAHA-UHFFFAOYSA-N
MW349.87 g/mol
LogP1.80
Rot. Bonds5

About 2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 133434322) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID133434322
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(c2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C17H24ClN5O/c1-11(17(24)19-13-4-5-13)22-6-8-23(9-7-22)15-10-14(18)20-16(21-15)12-2-3-12/h10-13H,2-9H2,1H3,(H,19,24)
InChIKeyNXFHNHLWULEAHA-UHFFFAOYSA-N
XLogP1.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 52511508
(2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 94810988
N-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethanesulfonamide
CID 133418654
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
CID 80948108
[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133418346
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602
2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 128961180
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80947338
4-chloro-2-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 80950703
ethyl 6-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxylate
CID 133418211
N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide
CID 138033404

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide (CID 133434322) is 2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(c2cc(Cl)nc(C3CC3)n2)CC1.
What is the InChIKey of 2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is NXFHNHLWULEAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O/c1-11(17(24)19-13-4-5-13)22-6-8-23(9-7-22)15-10-14(18)20-16(21-15)12-2-3-12/h10-13H,2-9H2,1H3,(H,19,24).
What are the key properties of 2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 349.87 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 133434322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).