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

C19H29N7O — CID 146153787

IUPAC4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC(C)c3cn(C)nc3C)C2)n1
InChIInChI=1S/C19H29N7O/c1-11-12(2)22-17(19(27)20-5)23-18(11)26-8-7-15(9-26)21-13(3)16-10-25(6)24-14(16)4/h10,13,15,21H,7-9H2,1-6H3,(H,20,27)/t13?,15-/m1/s1
InChIKeyQDKBVTKWIFNKGP-AWKYBWMHSA-N
MW371.49 g/mol
LogP1.42
Rot. Bonds5

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

4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (PubChem CID 146153787) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
PubChem CID146153787
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC(C)c3cn(C)nc3C)C2)n1
InChIInChI=1S/C19H29N7O/c1-11-12(2)22-17(19(27)20-5)23-18(11)26-8-7-15(9-26)21-13(3)16-10-25(6)24-14(16)4/h10,13,15,21H,7-9H2,1-6H3,(H,20,27)/t13?,15-/m1/s1
InChIKeyQDKBVTKWIFNKGP-AWKYBWMHSA-N
XLogP1.42
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 167882192
4-[(3R)-3-(4-hydroxybutan-2-ylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112279
4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111740
N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 154802881
4-[(3R)-3-(1,4-dioxepan-6-ylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112414
N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112283
N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 167840248
4-[(3R)-3-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111707
4-[(3R)-3-[[3-(methoxymethyl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112261
4-[(3R)-3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111838
4-[(3R)-3-[1-(3-ethyl-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146153772
N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146102398

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (CID 146153787) is 4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC(C)c3cn(C)nc3C)C2)n1.
What is the InChIKey of 4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The InChIKey is QDKBVTKWIFNKGP-AWKYBWMHSA-N. The full InChI is InChI=1S/C19H29N7O/c1-11-12(2)22-17(19(27)20-5)23-18(11)26-8-7-15(9-26)21-13(3)16-10-25(6)24-14(16)4/h10,13,15,21H,7-9H2,1-6H3,(H,20,27)/t13?,15-/m1/s1.
What are the key properties of 4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146153787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).