4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide

C20H34N6O — CID 154793531

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(CCN(C)C)C2CCCC2)nc(N2CC[C@@H](N)C2)c1C
InChIInChI=1S/C20H34N6O/c1-14-15(2)22-18(23-19(14)25-10-9-16(21)13-25)20(27)26(12-11-24(3)4)17-7-5-6-8-17/h16-17H,5-13,21H2,1-4H3/t16-/m1/s1
InChIKeySJUHHNJUUJTMLY-MRXNPFEDSA-N
MW374.53 g/mol
LogP1.58
Rot. Bonds6

About 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide

4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide (PubChem CID 154793531) has the molecular formula C20H34N6O and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide
PubChem CID154793531
Molecular FormulaC20H34N6O
Molecular Weight374.53 g/mol
Exact Mass374.28
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide
SMILESCc1nc(C(=O)N(CCN(C)C)C2CCCC2)nc(N2CC[C@@H](N)C2)c1C
InChIInChI=1S/C20H34N6O/c1-14-15(2)22-18(23-19(14)25-10-9-16(21)13-25)20(27)26(12-11-24(3)4)17-7-5-6-8-17/h16-17H,5-13,21H2,1-4H3/t16-/m1/s1
InChIKeySJUHHNJUUJTMLY-MRXNPFEDSA-N
XLogP1.58
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide (CID 154793531) is 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide is Cc1nc(C(=O)N(CCN(C)C)C2CCCC2)nc(N2CC[C@@H](N)C2)c1C.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide?
The InChIKey is SJUHHNJUUJTMLY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H34N6O/c1-14-15(2)22-18(23-19(14)25-10-9-16(21)13-25)20(27)26(12-11-24(3)4)17-7-5-6-8-17/h16-17H,5-13,21H2,1-4H3/t16-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide?
4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-5,6-dimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 154793531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).