4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide

C19H28N6O — CID 146110062

IUPAC4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide
SMILESCc1nc(C(=O)NCc2cccn2C)nc(N2CC[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C19H28N6O/c1-13-14(2)21-17(19(26)20-11-15-7-6-9-24(15)5)22-18(13)25-10-8-16(12-25)23(3)4/h6-7,9,16H,8,10-12H2,1-5H3,(H,20,26)/t16-/m1/s1
InChIKeyZQINJSIAJYSDBP-MRXNPFEDSA-N
MW356.47 g/mol
LogP1.50
Rot. Bonds5

About 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide

4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide (PubChem CID 146110062) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide
PubChem CID146110062
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide
SMILESCc1nc(C(=O)NCc2cccn2C)nc(N2CC[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C19H28N6O/c1-13-14(2)21-17(19(26)20-11-15-7-6-9-24(15)5)22-18(13)25-10-8-16(12-25)23(3)4/h6-7,9,16H,8,10-12H2,1-5H3,(H,20,26)/t16-/m1/s1
InChIKeyZQINJSIAJYSDBP-MRXNPFEDSA-N
XLogP1.50
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[3-(hydroxymethyl)phenyl]methyl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146110542
N-(cyanomethyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 154879384
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(1-hydroxycyclobutyl)ethyl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146110871
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146111054
N-[2-(3,3-difluorocyclobutyl)ethyl]-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146110937
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-5,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2-carboxamide
CID 146101454
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide
CID 146110824
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146101421
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(hydroxymethyl)oxan-4-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146110780
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide
CID 167928915
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(2-hydroxyethyl)oxan-4-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146110781
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone
CID 146101339

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide (CID 146110062) is 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide is Cc1nc(C(=O)NCc2cccn2C)nc(N2CC[C@@H](N(C)C)C2)c1C.
What is the InChIKey of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide?
The InChIKey is ZQINJSIAJYSDBP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N6O/c1-13-14(2)21-17(19(26)20-11-15-7-6-9-24(15)5)22-18(13)25-10-8-16(12-25)23(3)4/h6-7,9,16H,8,10-12H2,1-5H3,(H,20,26)/t16-/m1/s1.
What are the key properties of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide?
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 146110062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).