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

C19H23N5O4 — CID 109253190

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cnc(NCCN2CCOCC2)nc1
InChIInChI=1S/C19H23N5O4/c25-18(21-10-14-1-2-16-17(9-14)28-13-27-16)15-11-22-19(23-12-15)20-3-4-24-5-7-26-8-6-24/h1-2,9,11-12H,3-8,10,13H2,(H,21,25)(H,20,22,23)
InChIKeyLADDPPJJKMEAFC-UHFFFAOYSA-N
MW385.42 g/mol
LogP0.88
Rot. Bonds7

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

N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide (PubChem CID 109253190) 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-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
PubChem CID109253190
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cnc(NCCN2CCOCC2)nc1
InChIInChI=1S/C19H23N5O4/c25-18(21-10-14-1-2-16-17(9-14)28-13-27-16)15-11-22-19(23-12-15)20-3-4-24-5-7-26-8-6-24/h1-2,9,11-12H,3-8,10,13H2,(H,21,25)(H,20,22,23)
InChIKeyLADDPPJJKMEAFC-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-4-carboxamide
CID 109301427
N-(1,3-benzodioxol-5-ylmethyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109258193
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251873
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256217
N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253198
2-N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117088626
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-(ethylamino)pyrimidine-5-carboxamide
CID 72924871
2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109253062
N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 4719981
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254466
N-[2-(2-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253197
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 117082905

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide (CID 109253190) is N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cnc(NCCN2CCOCC2)nc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide?
The InChIKey is LADDPPJJKMEAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c25-18(21-10-14-1-2-16-17(9-14)28-13-27-16)15-11-22-19(23-12-15)20-3-4-24-5-7-26-8-6-24/h1-2,9,11-12H,3-8,10,13H2,(H,21,25)(H,20,22,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-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-5-carboxamide is sourced from PubChem (CID 109253190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).