[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone

C18H20N4O3 — CID 56861020

IUPAC[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone
SMILESCc1cc(N2CCCC(C(=O)c3ccc4c(c3)OCO4)C2)nc(N)n1
InChIInChI=1S/C18H20N4O3/c1-11-7-16(21-18(19)20-11)22-6-2-3-13(9-22)17(23)12-4-5-14-15(8-12)25-10-24-14/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H2,19,20,21)
InChIKeyBAAJZRMSWKSTRL-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.20
Rot. Bonds3

About [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone

[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone (PubChem CID 56861020) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone.

Molecular Properties

Compound Name[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone
PubChem CID56861020
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone
SMILESCc1cc(N2CCCC(C(=O)c3ccc4c(c3)OCO4)C2)nc(N)n1
InChIInChI=1S/C18H20N4O3/c1-11-7-16(21-18(19)20-11)22-6-2-3-13(9-22)17(23)12-4-5-14-15(8-12)25-10-24-14/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H2,19,20,21)
InChIKeyBAAJZRMSWKSTRL-UHFFFAOYSA-N
XLogP2.20
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-Amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-1-piperidyl]-(1,3-benzodioxol-5-yl)methanone
CID 10173681
4-[1-(1,3-Benzodioxol-5-ylcarbonyl)piperidin-4-yl]-6-(4-bromobenzyl)pyrimidin-2-amine
CID 21851531
4-[1-(1,3-Benzodioxol-5-ylcarbonyl)piperidin-4-yl]-6-(2,5-dimethoxybenzyl)pyrimidin-2-amine
CID 25147689
4-{1-[(3,4-Dimethoxyphenyl)carbonyl]piperidin-4-yl}-6-(4-methoxybenzyl)pyrimidin-2-amine
CID 44275609
4-[1-(1,3-Benzodioxol-5-ylcarbonyl)piperidin-4-yl]-6-benzylpyrimidin-2-amine
CID 44588032
4-[1-(1,3-Benzodioxol-5-ylcarbonyl)piperidin-4-yl]-6-(3-methoxybenzyl)pyrimidin-2-amine
CID 44588033
4-[1-(1,3-Benzodioxol-5-ylcarbonyl)piperidin-4-yl]-6-(3,4-dimethoxybenzyl)pyrimidin-2-amine
CID 44588098
4-[1-(1,3-Benzodioxol-5-ylcarbonyl)piperidin-4-yl]-6-(3,5-dimethoxybenzyl)pyrimidin-2-amine
CID 44588126
4-[1-(1,3-Benzodioxol-5-ylcarbonyl)piperidin-4-yl]-6-(1,3-benzodioxol-5-ylmethyl)pyrimidin-2-amine
CID 44588127
4-[1-(1,3-Benzodioxol-5-ylcarbonyl)piperidin-4-yl]-2-chloro-6-(4-methoxybenzyl)pyrimidine
CID 44588467
4-[1-(1,3-Benzodioxol-5-ylcarbonyl)piperidin-4-yl]-6-(4-methoxybenzyl)pyrimidine
CID 44588468
2-(1,3-benzodioxol-5-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25221514

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone?
The IUPAC name of [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone (CID 56861020) is [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone.
What is the SMILES notation for [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone?
The canonical SMILES for [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone is Cc1cc(N2CCCC(C(=O)c3ccc4c(c3)OCO4)C2)nc(N)n1.
What is the InChIKey of [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone?
The InChIKey is BAAJZRMSWKSTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-7-16(21-18(19)20-11)22-6-2-3-13(9-22)17(23)12-4-5-14-15(8-12)25-10-24-14/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H2,19,20,21).
What are the key properties of [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone?
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone has a molecular weight of 340.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-6-methylpyrimidin-4-yl)piperidin-3-yl]-(1,3-benzodioxol-5-yl)methanone is sourced from PubChem (CID 56861020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).