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

C14H14N4O2 — CID 116647896

IUPAC4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(C2COc3ccccc3C2)nc1N
InChIInChI=1S/C14H14N4O2/c15-12-10(13(16)19)6-17-14(18-12)9-5-8-3-1-2-4-11(8)20-7-9/h1-4,6,9H,5,7H2,(H2,16,19)(H2,15,17,18)
InChIKeyXKUHQUNPRVBVJP-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.88
Rot. Bonds2

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

4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide (PubChem CID 116647896) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide
PubChem CID116647896
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(C2COc3ccccc3C2)nc1N
InChIInChI=1S/C14H14N4O2/c15-12-10(13(16)19)6-17-14(18-12)9-5-8-3-1-2-4-11(8)20-7-9/h1-4,6,9H,5,7H2,(H2,16,19)(H2,15,17,18)
InChIKeyXKUHQUNPRVBVJP-UHFFFAOYSA-N
XLogP0.88
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431535
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
(2-amino-3-pyridinyl)-(3,4-dihydro-2H-chromen-3-yl)methanone
CID 65408944
2-(3,4-dihydro-2H-chromen-3-yl)-6-methylpyrimidin-4-amine
CID 65406183
1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine
CID 65405840
methyl 4-amino-2-(2,3-dihydro-1-benzofuran-3-yl)pyrimidine-5-carboxylate
CID 116646662
2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid
CID 65408477
5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole
CID 102618251
2-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 65406042
2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone
CID 65407017
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65405832

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide (CID 116647896) is 4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide is NC(=O)c1cnc(C2COc3ccccc3C2)nc1N.
What is the InChIKey of 4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide?
The InChIKey is XKUHQUNPRVBVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-12-10(13(16)19)6-17-14(18-12)9-5-8-3-1-2-4-11(8)20-7-9/h1-4,6,9H,5,7H2,(H2,16,19)(H2,15,17,18).
What are the key properties of 4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide?
4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 116647896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).