6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

C19H26N4O3 — CID 112857228

IUPAC6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(CCNc2cc(NCC3CCCO3)ncn2)cc1OC
InChIInChI=1S/C19H26N4O3/c1-24-16-6-5-14(10-17(16)25-2)7-8-20-18-11-19(23-13-22-18)21-12-15-4-3-9-26-15/h5-6,10-11,13,15H,3-4,7-9,12H2,1-2H3,(H2,20,21,22,23)
InChIKeySNDGZGMVNWIDPM-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.74
Rot. Bonds9

About 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112857228) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112857228
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(CCNc2cc(NCC3CCCO3)ncn2)cc1OC
InChIInChI=1S/C19H26N4O3/c1-24-16-6-5-14(10-17(16)25-2)7-8-20-18-11-19(23-13-22-18)21-12-15-4-3-9-26-15/h5-6,10-11,13,15H,3-4,7-9,12H2,1-2H3,(H2,20,21,22,23)
InChIKeySNDGZGMVNWIDPM-UHFFFAOYSA-N
XLogP2.74
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(oxolan-2-ylmethyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112857213
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
4-N-(2-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857301
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112862461
4-N-(oxolan-2-ylmethyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112857246
4-N-(4-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857303
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860212
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862477
4-N-(4-ethylphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857276
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856385
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859723
N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109342014

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (CID 112857228) is 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is COc1ccc(CCNc2cc(NCC3CCCO3)ncn2)cc1OC.
What is the InChIKey of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is SNDGZGMVNWIDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-24-16-6-5-14(10-17(16)25-2)7-8-20-18-11-19(23-13-22-18)21-12-15-4-3-9-26-15/h5-6,10-11,13,15H,3-4,7-9,12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 358.44 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112857228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).