N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine

C14H15N3O2 — CID 56824753

IUPACN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
SMILESCOc1cccc2c1OCC(Nc1ncccn1)C2
InChIInChI=1S/C14H15N3O2/c1-18-12-5-2-4-10-8-11(9-19-13(10)12)17-14-15-6-3-7-16-14/h2-7,11H,8-9H2,1H3,(H,15,16,17)
InChIKeyXBOHSMHCBSBGFR-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.90
Rot. Bonds3

About N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine (PubChem CID 56824753) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
PubChem CID56824753
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
SMILESCOc1cccc2c1OCC(Nc1ncccn1)C2
InChIInChI=1S/C14H15N3O2/c1-18-12-5-2-4-10-8-11(9-19-13(10)12)17-14-15-6-3-7-16-14/h2-7,11H,8-9H2,1H3,(H,15,16,17)
InChIKeyXBOHSMHCBSBGFR-UHFFFAOYSA-N
XLogP1.90
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine
CID 163313873
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133294514
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45249546
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209975
8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 86806743
(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 99778884
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 131927717
8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45249758
5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]-1,3-dihydroindol-2-one
CID 45244761
4-acetyl-N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,4-diazepane-1-carboxamide
CID 95568985
3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95977707

Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine (CID 56824753) is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine is COc1cccc2c1OCC(Nc1ncccn1)C2.
What is the InChIKey of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine?
The InChIKey is XBOHSMHCBSBGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-18-12-5-2-4-10-8-11(9-19-13(10)12)17-14-15-6-3-7-16-14/h2-7,11H,8-9H2,1H3,(H,15,16,17).
What are the key properties of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine?
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine has a molecular weight of 257.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 56824753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).