[2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone

C18H20N4O4 — CID 109324376

IUPAC[2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)nc(NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H20N4O4/c1-12-8-14(17(23)22-4-6-24-7-5-22)21-18(20-12)19-10-13-2-3-15-16(9-13)26-11-25-15/h2-3,8-9H,4-7,10-11H2,1H3,(H,19,20,21)
InChIKeyBXZWRDPZQGHVPY-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.60
Rot. Bonds4

About [2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone

[2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109324376) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109324376
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name[2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)nc(NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H20N4O4/c1-12-8-14(17(23)22-4-6-24-7-5-22)21-18(20-12)19-10-13-2-3-15-16(9-13)26-11-25-15/h2-3,8-9H,4-7,10-11H2,1H3,(H,19,20,21)
InChIKeyBXZWRDPZQGHVPY-UHFFFAOYSA-N
XLogP1.60
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206408
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-methyl-2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109320091
2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327217
[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324356
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109329421
azepan-1-yl-[6-(1,3-benzodioxol-5-ylmethylamino)-2-methylpyrimidin-4-yl]methanone
CID 109370505
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299158
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912254
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-methyl-2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109327801
[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324383
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109329427
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328424

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109324376) is [2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is Cc1cc(C(=O)N2CCOCC2)nc(NCc2ccc3c(c2)OCO3)n1.
What is the InChIKey of [2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is BXZWRDPZQGHVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12-8-14(17(23)22-4-6-24-7-5-22)21-18(20-12)19-10-13-2-3-15-16(9-13)26-11-25-15/h2-3,8-9H,4-7,10-11H2,1H3,(H,19,20,21).
What are the key properties of [2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
[2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 356.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109324376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).