N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide

C20H29N7O — CID 167840248

IUPACN,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCc1ncncc1C(C)N[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1
InChIInChI=1S/C20H29N7O/c1-12-13(2)24-18(20(28)26(5)6)25-19(12)27-8-7-16(10-27)23-15(4)17-9-21-11-22-14(17)3/h9,11,15-16,23H,7-8,10H2,1-6H3/t15?,16-/m1/s1
InChIKeyRBBGACUYYLCRKV-OEMAIJDKSA-N
MW383.50 g/mol
LogP1.82
Rot. Bonds5

About N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide

N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide (PubChem CID 167840248) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
PubChem CID167840248
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC NameN,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCc1ncncc1C(C)N[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1
InChIInChI=1S/C20H29N7O/c1-12-13(2)24-18(20(28)26(5)6)25-19(12)27-8-7-16(10-27)23-15(4)17-9-21-11-22-14(17)3/h9,11,15-16,23H,7-8,10H2,1-6H3/t15?,16-/m1/s1
InChIKeyRBBGACUYYLCRKV-OEMAIJDKSA-N
XLogP1.82
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3R)-3-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 154799523
4-[(3R)-3-[1-(4-ethylphenyl)ethylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112295
4-[(3R)-3-[(3-hydroxy-3-methylbutan-2-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146112359
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-pyrazol-1-ylpropan-2-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112323
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-[(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
N,N,4,5-tetramethyl-6-[(3R)-3-(1,5-naphthyridin-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112136
4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146153787
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-3-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112026

Frequently Asked Questions

What is the IUPAC name of N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The IUPAC name of N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide (CID 167840248) is N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide is Cc1ncncc1C(C)N[C@@H]1CCN(c2nc(C(=O)N(C)C)nc(C)c2C)C1.
What is the InChIKey of N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The InChIKey is RBBGACUYYLCRKV-OEMAIJDKSA-N. The full InChI is InChI=1S/C20H29N7O/c1-12-13(2)24-18(20(28)26(5)6)25-19(12)27-8-7-16(10-27)23-15(4)17-9-21-11-22-14(17)3/h9,11,15-16,23H,7-8,10H2,1-6H3/t15?,16-/m1/s1.
What are the key properties of N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 167840248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).