4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine

C17H18N4O2 — CID 112858656

IUPAC4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1cc(NCc2ccco2)ncn1
InChIInChI=1S/C17H18N4O2/c1-2-22-15-8-4-3-7-14(15)21-17-10-16(19-12-20-17)18-11-13-6-5-9-23-13/h3-10,12H,2,11H2,1H3,(H2,18,19,20,21)
InChIKeyHNMDYKFAQHPBEZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.82
Rot. Bonds7

About 4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine

4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112858656) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112858656
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCOc1ccccc1Nc1cc(NCc2ccco2)ncn1
InChIInChI=1S/C17H18N4O2/c1-2-22-15-8-4-3-7-14(15)21-17-10-16(19-12-20-17)18-11-13-6-5-9-23-13/h3-10,12H,2,11H2,1H3,(H2,18,19,20,21)
InChIKeyHNMDYKFAQHPBEZ-UHFFFAOYSA-N
XLogP3.82
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858658
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858614
4-N-(2-ethoxyphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866112
4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860806
4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858634
6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112858694
4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858600
N'-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809908
6-N-(furan-2-ylmethyl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112858616
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858581
6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112858660
6-N-(3,4-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112865234

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine (CID 112858656) is 4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine is CCOc1ccccc1Nc1cc(NCc2ccco2)ncn1.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is HNMDYKFAQHPBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-22-15-8-4-3-7-14(15)21-17-10-16(19-12-20-17)18-11-13-6-5-9-23-13/h3-10,12H,2,11H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 310.36 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112858656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).