4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide

C19H29N7O — CID 146101421

IUPAC4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(C)CCn2ccnc2)nc(N2CC[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C19H29N7O/c1-14-15(2)21-17(19(27)24(5)10-11-25-9-7-20-13-25)22-18(14)26-8-6-16(12-26)23(3)4/h7,9,13,16H,6,8,10-12H2,1-5H3/t16-/m1/s1
InChIKeyKXSZEZQQXSKSAQ-MRXNPFEDSA-N
MW371.49 g/mol
LogP1.20
Rot. Bonds6

About 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide

4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide (PubChem CID 146101421) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide
PubChem CID146101421
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(C)CCn2ccnc2)nc(N2CC[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C19H29N7O/c1-14-15(2)21-17(19(27)24(5)10-11-25-9-7-20-13-25)22-18(14)26-8-6-16(12-26)23(3)4/h7,9,13,16H,6,8,10-12H2,1-5H3/t16-/m1/s1
InChIKeyKXSZEZQQXSKSAQ-MRXNPFEDSA-N
XLogP1.20
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide (CID 146101421) is 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide is Cc1nc(C(=O)N(C)CCn2ccnc2)nc(N2CC[C@@H](N(C)C)C2)c1C.
What is the InChIKey of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide?
The InChIKey is KXSZEZQQXSKSAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N7O/c1-14-15(2)21-17(19(27)24(5)10-11-25-9-7-20-13-25)22-18(14)26-8-6-16(12-26)23(3)4/h7,9,13,16H,6,8,10-12H2,1-5H3/t16-/m1/s1.
What are the key properties of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide?
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146101421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).