N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide

C14H22N4O — CID 124613889

IUPACN,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)[C@H]2CCNC2)c(C(C)C)n1
InChIInChI=1S/C14H22N4O/c1-9(2)13-12(8-16-10(3)17-13)14(19)18(4)11-5-6-15-7-11/h8-9,11,15H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyDZEDVMBEONTSML-NSHDSACASA-N
MW262.36 g/mol
LogP1.34
Rot. Bonds3

About N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide

N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 124613889) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
PubChem CID124613889
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(C)[C@H]2CCNC2)c(C(C)C)n1
InChIInChI=1S/C14H22N4O/c1-9(2)13-12(8-16-10(3)17-13)14(19)18(4)11-5-6-15-7-11/h8-9,11,15H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyDZEDVMBEONTSML-NSHDSACASA-N
XLogP1.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide
CID 119551523
N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119550200
4-(furan-2-ylmethylamino)-N,2-dimethyl-N-piperidin-3-ylpyrimidine-5-carboxamide
CID 134141868
N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119552868
N,3-dimethyl-6-propan-2-yl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119551327
N-methyl-2-propan-2-yl-N-pyrrolidin-3-ylquinoline-4-carboxamide;dihydrochloride
CID 119554410
N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119553240
N,2-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119554205
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
5-cyano-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 63724260
N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119552693
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide (CID 124613889) is N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)N(C)[C@H]2CCNC2)c(C(C)C)n1.
What is the InChIKey of N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is DZEDVMBEONTSML-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O/c1-9(2)13-12(8-16-10(3)17-13)14(19)18(4)11-5-6-15-7-11/h8-9,11,15H,5-7H2,1-4H3/t11-/m0/s1.
What are the key properties of N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide?
N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 124613889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).