5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide

C15H23ClN4O — CID 119530022

IUPAC5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide
SMILESCCCN(C(=O)c1nc(C(C)C)ncc1Cl)C1CCNC1
InChIInChI=1S/C15H23ClN4O/c1-4-7-20(11-5-6-17-8-11)15(21)13-12(16)9-18-14(19-13)10(2)3/h9-11,17H,4-8H2,1-3H3
InChIKeyDBFQJJLWNXNHKT-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.47
Rot. Bonds5

About 5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide

5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide (PubChem CID 119530022) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide
PubChem CID119530022
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide
SMILESCCCN(C(=O)c1nc(C(C)C)ncc1Cl)C1CCNC1
InChIInChI=1S/C15H23ClN4O/c1-4-7-20(11-5-6-17-8-11)15(21)13-12(16)9-18-14(19-13)10(2)3/h9-11,17H,4-8H2,1-3H3
InChIKeyDBFQJJLWNXNHKT-UHFFFAOYSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide;hydrochloride
CID 119532219
N,2-dipropyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119533233
N-propyl-N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 103806535
N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737122
4-chloro-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63300921
2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533138
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290
N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide
CID 60807585
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119531240
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195
3,5-dimethyl-N-propyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 167918992

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide (CID 119530022) is 5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide is CCCN(C(=O)c1nc(C(C)C)ncc1Cl)C1CCNC1.
What is the InChIKey of 5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide?
The InChIKey is DBFQJJLWNXNHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-4-7-20(11-5-6-17-8-11)15(21)13-12(16)9-18-14(19-13)10(2)3/h9-11,17H,4-8H2,1-3H3.
What are the key properties of 5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide?
5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 119530022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).