N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide

C17H17N3O3 — CID 6539740

IUPACN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide
SMILESCOc1ccc(-c2cc3c(NC(=O)C(C)C)ncnc3o2)cc1
InChIInChI=1S/C17H17N3O3/c1-10(2)16(21)20-15-13-8-14(23-17(13)19-9-18-15)11-4-6-12(22-3)7-5-11/h4-10H,1-3H3,(H,18,19,20,21)
InChIKeyDQLCYLLVRLPWIK-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.49
Rot. Bonds4

About N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide

N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide (PubChem CID 6539740) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide
PubChem CID6539740
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide
SMILESCOc1ccc(-c2cc3c(NC(=O)C(C)C)ncnc3o2)cc1
InChIInChI=1S/C17H17N3O3/c1-10(2)16(21)20-15-13-8-14(23-17(13)19-9-18-15)11-4-6-12(22-3)7-5-11/h4-10H,1-3H3,(H,18,19,20,21)
InChIKeyDQLCYLLVRLPWIK-UHFFFAOYSA-N
XLogP3.49
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide (CID 6539740) is N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide is COc1ccc(-c2cc3c(NC(=O)C(C)C)ncnc3o2)cc1.
What is the InChIKey of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide?
The InChIKey is DQLCYLLVRLPWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10(2)16(21)20-15-13-8-14(23-17(13)19-9-18-15)11-4-6-12(22-3)7-5-11/h4-10H,1-3H3,(H,18,19,20,21).
What are the key properties of N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide?
N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide has a molecular weight of 311.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 6539740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).