4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine

C14H14N2O2 — CID 116903796

IUPAC4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine
SMILESCOc1nccc(-c2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C14H14N2O2/c1-17-14-15-7-6-12(16-14)10-4-5-13-11(9-10)3-2-8-18-13/h4-7,9H,2-3,8H2,1H3
InChIKeyKSFTXABVUSWTRZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.48
Rot. Bonds2

About 4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine

4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine (PubChem CID 116903796) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine
PubChem CID116903796
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine
SMILESCOc1nccc(-c2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C14H14N2O2/c1-17-14-15-7-6-12(16-14)10-4-5-13-11(9-10)3-2-8-18-13/h4-7,9H,2-3,8H2,1H3
InChIKeyKSFTXABVUSWTRZ-UHFFFAOYSA-N
XLogP2.48
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine
CID 116903746
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
1-[4-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-2-yl]propan-2-amine
CID 116897942
2-methoxy-4-(6-methylnaphthalen-2-yl)pyrimidine
CID 116903843
4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole
CID 116967801
1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone
CID 116895365
4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine
CID 82477480
2-chloro-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrimidine
CID 79072757
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965909
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
CID 116867444

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine (CID 116903796) is 4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine is COc1nccc(-c2ccc3c(c2)CCCO3)n1.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine?
The InChIKey is KSFTXABVUSWTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-17-14-15-7-6-12(16-14)10-4-5-13-11(9-10)3-2-8-18-13/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine?
4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine has a molecular weight of 242.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 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)-2-methoxypyrimidine is sourced from PubChem (CID 116903796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).