4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine

C17H17N3O3 — CID 75360164

IUPAC4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(C)o3)nc(N)n2)cc1OC
InChIInChI=1S/C17H17N3O3/c1-10-4-6-14(23-10)13-9-12(19-17(18)20-13)11-5-7-15(21-2)16(8-11)22-3/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyQJCCGKDDNSYIME-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.31
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine

4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine (PubChem CID 75360164) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine
PubChem CID75360164
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc(C)o3)nc(N)n2)cc1OC
InChIInChI=1S/C17H17N3O3/c1-10-4-6-14(23-10)13-9-12(19-17(18)20-13)11-5-7-15(21-2)16(8-11)22-3/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyQJCCGKDDNSYIME-UHFFFAOYSA-N
XLogP3.31
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(7-Methoxy-1-benzofuran-2-yl)pyrimidin-2-amine
CID 1480563
2-Amino-4-furan-2-yl-6-phenyl-pyrimidine-5-carbonitrile
CID 9813876
7-(3,4-Dimethoxy-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10149932
2-amino-6-(furan-2-yl)-N-(3-methoxybenzyl)pyrimidine-4-carboxamide
CID 11381738
2-amino-6-(furan-2-yl)-N-(4-methoxybenzyl)pyrimidine-4-carboxamide
CID 45267130
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-(4-furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 651239
2-Amino-4-benzo[1,3]dioxol-5-yl-6-(5-methyl-furan-2-yl)-nicotinonitrile
CID 655029
2-Amino-4-(3-ethoxy-4-hydroxy-phenyl)-6-(5-methyl-furan-2-yl)-nicotinonitrile
CID 856341
N-(2-furylmethyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 2989085
4-(3,4-dimethoxyphenyl)-N-(2-furylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 3235893
4-(1,3-benzodioxol-5-yl)-N-(2-furylmethyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 3237302
N-benzyl-4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 3242070

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine (CID 75360164) is 4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine is COc1ccc(-c2cc(-c3ccc(C)o3)nc(N)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The InChIKey is QJCCGKDDNSYIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-4-6-14(23-10)13-9-12(19-17(18)20-13)11-5-7-15(21-2)16(8-11)22-3/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine has a molecular weight of 311.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 75360164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).