N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

C19H23N5O4 — CID 109301427

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccnc(NCCN2CCOCC2)n1
InChIInChI=1S/C19H23N5O4/c25-18(22-12-14-1-2-16-17(11-14)28-13-27-16)15-3-4-20-19(23-15)21-5-6-24-7-9-26-10-8-24/h1-4,11H,5-10,12-13H2,(H,22,25)(H,20,21,23)
InChIKeyFDACFPLQAJWVMY-UHFFFAOYSA-N
MW385.42 g/mol
LogP0.88
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109301427) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109301427
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccnc(NCCN2CCOCC2)n1
InChIInChI=1S/C19H23N5O4/c25-18(22-12-14-1-2-16-17(11-14)28-13-27-16)15-3-4-20-19(23-15)21-5-6-24-7-9-26-10-8-24/h1-4,11H,5-10,12-13H2,(H,22,25)(H,20,21,23)
InChIKeyFDACFPLQAJWVMY-UHFFFAOYSA-N
XLogP0.88
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253190
N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301415
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 117082905
N-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylamino)pyrimidine-4-carboxamide
CID 109306598
N-(1,3-benzodioxol-5-ylmethyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298249
2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109298799
2-N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117088626
N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301473
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109306658
N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 4719981
2-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301562
N-[(4-fluorophenyl)methyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325200

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109301427) is N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1ccnc(NCCN2CCOCC2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is FDACFPLQAJWVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c25-18(22-12-14-1-2-16-17(11-14)28-13-27-16)15-3-4-20-19(23-15)21-5-6-24-7-9-26-10-8-24/h1-4,11H,5-10,12-13H2,(H,22,25)(H,20,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).