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

C20H29N7O — CID 146150361

IUPAC4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
SMILESCCc1ncc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)cn1
InChIInChI=1S/C20H29N7O/c1-6-17-22-10-15(11-23-17)9-21-16-7-8-27(12-16)19-13(2)14(3)24-18(25-19)20(28)26(4)5/h10-11,16,21H,6-9,12H2,1-5H3/t16-/m1/s1
InChIKeyBILSVVDLBVGYNL-MRXNPFEDSA-N
MW383.50 g/mol
LogP1.52
Rot. Bonds6

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

4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide (PubChem CID 146150361) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
PubChem CID146150361
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
SMILESCCc1ncc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)cn1
InChIInChI=1S/C20H29N7O/c1-6-17-22-10-15(11-23-17)9-21-16-7-8-27(12-16)19-13(2)14(3)24-18(25-19)20(28)26(4)5/h10-11,16,21H,6-9,12H2,1-5H3/t16-/m1/s1
InChIKeyBILSVVDLBVGYNL-MRXNPFEDSA-N
XLogP1.52
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3R)-3-[(3,4-dimethylphenyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146102386
4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111977
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-4-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111984
4-[(3R)-3-[[3-(methoxymethyl)phenyl]methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111892
4-[(3R)-3-[(1-cyclopropylimidazol-2-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146102403
4-[(3R)-3-[(1,4-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111990
4-[(3R)-3-[(1,5-dimethyltriazol-4-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112483
4-[(3R)-3-[(5,6-dimethylpyrazin-2-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 167755351
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-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112295
4-[(3R)-3-[(2-ethyl-1,2,4-triazol-3-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 167812703

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide (CID 146150361) is 4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide is CCc1ncc(CN[C@@H]2CCN(c3nc(C(=O)N(C)C)nc(C)c3C)C2)cn1.
What is the InChIKey of 4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
The InChIKey is BILSVVDLBVGYNL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N7O/c1-6-17-22-10-15(11-23-17)9-21-16-7-8-27(12-16)19-13(2)14(3)24-18(25-19)20(28)26(4)5/h10-11,16,21H,6-9,12H2,1-5H3/t16-/m1/s1.
What are the key properties of 4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide?
4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[(2-ethylpyrimidin-5-yl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146150361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).