4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine

C14H15N3O — CID 82477480

IUPAC4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine
SMILESCc1ncnc(-c2ccc3c(c2)CCCO3)c1N
InChIInChI=1S/C14H15N3O/c1-9-13(15)14(17-8-16-9)11-4-5-12-10(7-11)3-2-6-18-12/h4-5,7-8H,2-3,6,15H2,1H3
InChIKeyPERDEGTWUIYHCS-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.36
Rot. Bonds1

About 4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine

4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine (PubChem CID 82477480) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine
PubChem CID82477480
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine
SMILESCc1ncnc(-c2ccc3c(c2)CCCO3)c1N
InChIInChI=1S/C14H15N3O/c1-9-13(15)14(17-8-16-9)11-4-5-12-10(7-11)3-2-6-18-12/h4-5,7-8H,2-3,6,15H2,1H3
InChIKeyPERDEGTWUIYHCS-UHFFFAOYSA-N
XLogP2.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine
CID 116831842
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220
[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine
CID 82477483
4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 116832007
5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 61025357
6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82481969
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline
CID 54912524
3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 66580503
4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine
CID 116903796
2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole
CID 116891920

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine (CID 82477480) is 4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine is Cc1ncnc(-c2ccc3c(c2)CCCO3)c1N.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine?
The InChIKey is PERDEGTWUIYHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-13(15)14(17-8-16-9)11-4-5-12-10(7-11)3-2-6-18-12/h4-5,7-8H,2-3,6,15H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine?
4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine has a molecular weight of 241.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine is sourced from PubChem (CID 82477480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).