4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide

C19H29N7O — CID 146111990

IUPAC4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
SMILESCc1cn(C)nc1CN[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1
InChIInChI=1S/C19H29N7O/c1-12-10-25(6)23-16(12)9-20-15-7-8-26(11-15)18-13(2)14(3)21-17(22-18)19(27)24(4)5/h10,15,20H,7-9,11H2,1-6H3/t15-/m1/s1
InChIKeyHLOLUCZBIVRIRM-OAHLLOKOSA-N
MW371.49 g/mol
LogP1.21
Rot. Bonds5

About 4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide

4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide (PubChem CID 146111990) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
PubChem CID146111990
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
SMILESCc1cn(C)nc1CN[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1
InChIInChI=1S/C19H29N7O/c1-12-10-25(6)23-16(12)9-20-15-7-8-26(11-15)18-13(2)14(3)21-17(22-18)19(27)24(4)5/h10,15,20H,7-9,11H2,1-6H3/t15-/m1/s1
InChIKeyHLOLUCZBIVRIRM-OAHLLOKOSA-N
XLogP1.21
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3R)-3-[(1,5-dimethyltriazol-4-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112483
4-[(3R)-3-[(1-cyclopropylimidazol-4-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111984
4-[(3R)-3-[(3,4-dimethylphenyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146102386
N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112026
4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146150361
N,N,4,5-tetramethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146111887
4-[(3R)-3-[(1-cyclopropylimidazol-2-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146102403
4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111977
4-[(3R)-3-[[3-(methoxymethyl)phenyl]methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111892
4-[(3R)-3-[(2-ethyl-1,2,4-triazol-3-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 167812703
4-[(3R)-3-[(5,6-dimethylpyrazin-2-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 167755351
4-[(3R)-3-[(2-cyano-4-methyl-3-pyridinyl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112102

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide (CID 146111990) is 4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide is Cc1cn(C)nc1CN[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1.
What is the InChIKey of 4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The InChIKey is HLOLUCZBIVRIRM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N7O/c1-12-10-25(6)23-16(12)9-20-15-7-8-26(11-15)18-13(2)14(3)21-17(22-18)19(27)24(4)5/h10,15,20H,7-9,11H2,1-6H3/t15-/m1/s1.
What are the key properties of 4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146111990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).