4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide

C19H31N5O2 — CID 146110824

IUPAC4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide
SMILESCCOC1CC(NC(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)C1
InChIInChI=1S/C19H31N5O2/c1-6-26-16-9-14(10-16)21-19(25)17-20-13(3)12(2)18(22-17)24-8-7-15(11-24)23(4)5/h14-16H,6-11H2,1-5H3,(H,21,25)/t14?,15-,16?/m1/s1
InChIKeyMQIIHYRQXVBDGR-HWOWSKLDSA-N
MW361.49 g/mol
LogP1.53
Rot. Bonds6

About 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide

4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide (PubChem CID 146110824) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide
PubChem CID146110824
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide
SMILESCCOC1CC(NC(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)C1
InChIInChI=1S/C19H31N5O2/c1-6-26-16-9-14(10-16)21-19(25)17-20-13(3)12(2)18(22-17)24-8-7-15(11-24)23(4)5/h14-16H,6-11H2,1-5H3,(H,21,25)/t14?,15-,16?/m1/s1
InChIKeyMQIIHYRQXVBDGR-HWOWSKLDSA-N
XLogP1.53
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide (CID 146110824) is 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide is CCOC1CC(NC(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)C1.
What is the InChIKey of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide?
The InChIKey is MQIIHYRQXVBDGR-HWOWSKLDSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-6-26-16-9-14(10-16)21-19(25)17-20-13(3)12(2)18(22-17)24-8-7-15(11-24)23(4)5/h14-16H,6-11H2,1-5H3,(H,21,25)/t14?,15-,16?/m1/s1.
What are the key properties of 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide?
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146110824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).