4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide

C14H13FN4O2 — CID 126816609

IUPAC4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide
SMILESNc1ncncc1C(=O)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C14H13FN4O2/c15-8-1-2-12-9(5-8)11(3-4-21-12)19-14(20)10-6-17-7-18-13(10)16/h1-2,5-7,11H,3-4H2,(H,19,20)(H2,16,17,18)
InChIKeyNFLXJWKYFUTWEW-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.45
Rot. Bonds2

About 4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide

4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide (PubChem CID 126816609) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide
PubChem CID126816609
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide
SMILESNc1ncncc1C(=O)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C14H13FN4O2/c15-8-1-2-12-9(5-8)11(3-4-21-12)19-14(20)10-6-17-7-18-13(10)16/h1-2,5-7,11H,3-4H2,(H,19,20)(H2,16,17,18)
InChIKeyNFLXJWKYFUTWEW-UHFFFAOYSA-N
XLogP1.45
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide (CID 126816609) is 4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide is Nc1ncncc1C(=O)NC1CCOc2ccc(F)cc21.
What is the InChIKey of 4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide?
The InChIKey is NFLXJWKYFUTWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c15-8-1-2-12-9(5-8)11(3-4-21-12)19-14(20)10-6-17-7-18-13(10)16/h1-2,5-7,11H,3-4H2,(H,19,20)(H2,16,17,18).
What are the key properties of 4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide?
4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide has a molecular weight of 288.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 126816609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).