N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide

C19H24N6O3 — CID 50946417

IUPACN-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide
SMILESCCNc1nc(C)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C19H24N6O3/c1-3-20-18-21-13(2)10-17(23-18)24-6-8-25(9-7-24)19(26)22-14-4-5-15-16(11-14)28-12-27-15/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,22,26)(H,20,21,23)
InChIKeyMNCHSOZHSFMVGH-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.30
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 50946417) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID50946417
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide
SMILESCCNc1nc(C)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C19H24N6O3/c1-3-20-18-21-13(2)10-17(23-18)24-6-8-25(9-7-24)19(26)22-14-4-5-15-16(11-14)28-12-27-15/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,22,26)(H,20,21,23)
InChIKeyMNCHSOZHSFMVGH-UHFFFAOYSA-N
XLogP2.30
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(ethylamino)-6-methylpyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 70702726
N-(1,3-benzodioxol-5-yl)-4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50947655
1-(1,3-benzodioxol-5-yl)-3-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]urea
CID 121075692
N-(1,3-benzodioxol-5-yl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334562
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122351016
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50748059
N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122335144
N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375452
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 56699104
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122351076
4-(1,3-benzodioxol-5-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111704
N-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111536

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide (CID 50946417) is N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide is CCNc1nc(C)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is MNCHSOZHSFMVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-3-20-18-21-13(2)10-17(23-18)24-6-8-25(9-7-24)19(26)22-14-4-5-15-16(11-14)28-12-27-15/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,22,26)(H,20,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 50946417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).