4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide

C20H29N7O — CID 146111783

IUPAC4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnccc3N(C)C)C2)n1
InChIInChI=1S/C20H29N7O/c1-13-14(2)24-18(20(28)21-3)25-19(13)27-9-7-16(12-27)23-11-15-10-22-8-6-17(15)26(4)5/h6,8,10,16,23H,7,9,11-12H2,1-5H3,(H,21,28)/t16-/m1/s1
InChIKeyCTXAZBKZDUUBOL-MRXNPFEDSA-N
MW383.50 g/mol
LogP1.28
Rot. Bonds6

About 4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide

4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (PubChem CID 146111783) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
PubChem CID146111783
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnccc3N(C)C)C2)n1
InChIInChI=1S/C20H29N7O/c1-13-14(2)24-18(20(28)21-3)25-19(13)27-9-7-16(12-27)23-11-15-10-22-8-6-17(15)26(4)5/h6,8,10,16,23H,7,9,11-12H2,1-5H3,(H,21,28)/t16-/m1/s1
InChIKeyCTXAZBKZDUUBOL-MRXNPFEDSA-N
XLogP1.28
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146111830
4-[(3R)-3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111838
4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112401
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-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146153740
4-[(3R)-3-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111707
4-[(3R)-3-(4-hydroxybutan-2-ylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112279
4-[(3R)-3-(isoquinolin-6-ylmethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 167790200
4-[(3R)-3-[(3,4-dimethylphenyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146102386
4-[(3R)-3-[(2-fluoro-3-methylphenyl)methylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 154794650
4-[(3R)-3-[(5-fluoro-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146111977

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (CID 146111783) is 4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cnccc3N(C)C)C2)n1.
What is the InChIKey of 4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The InChIKey is CTXAZBKZDUUBOL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N7O/c1-13-14(2)24-18(20(28)21-3)25-19(13)27-9-7-16(12-27)23-11-15-10-22-8-6-17(15)26(4)5/h6,8,10,16,23H,7,9,11-12H2,1-5H3,(H,21,28)/t16-/m1/s1.
What are the key properties of 4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146111783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).