4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine

C19H24N2O2 — CID 97131874

IUPAC4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine
SMILESCCCc1cc(C[C@@H]2COc3cc(OC)ccc3C2)nc(C)n1
InChIInChI=1S/C19H24N2O2/c1-4-5-16-10-17(21-13(2)20-16)9-14-8-15-6-7-18(22-3)11-19(15)23-12-14/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3/t14-/m1/s1
InChIKeyKZVGYJYOOKPHIX-CQSZACIVSA-N
MW312.41 g/mol
LogP3.54
Rot. Bonds5

About 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine

4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine (PubChem CID 97131874) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine.

Molecular Properties

Compound Name4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine
PubChem CID97131874
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine
SMILESCCCc1cc(C[C@@H]2COc3cc(OC)ccc3C2)nc(C)n1
InChIInChI=1S/C19H24N2O2/c1-4-5-16-10-17(21-13(2)20-16)9-14-8-15-6-7-18(22-3)11-19(15)23-12-14/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3/t14-/m1/s1
InChIKeyKZVGYJYOOKPHIX-CQSZACIVSA-N
XLogP3.54
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridin-2-amine
CID 72938963
2-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97285664
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine
CID 97269713
5-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine
CID 97269712
(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methanamine;hydrochloride
CID 74889940
6-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
CID 97116124
6-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-propan-2-ylpyridazin-3-amine
CID 97116123
4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-piperidin-1-ylpyrimidine
CID 72849919
2-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridine-4-carboxamide
CID 72849732
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-6-piperidin-1-ylpyrimidine
CID 97270402
4-[6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazin-3-yl]thiomorpholine
CID 72910039
2-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxypyridine
CID 97130017

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine?
The IUPAC name of 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine (CID 97131874) is 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine.
What is the SMILES notation for 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine?
The canonical SMILES for 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine is CCCc1cc(C[C@@H]2COc3cc(OC)ccc3C2)nc(C)n1.
What is the InChIKey of 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine?
The InChIKey is KZVGYJYOOKPHIX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-5-16-10-17(21-13(2)20-16)9-14-8-15-6-7-18(22-3)11-19(15)23-12-14/h6-7,10-11,14H,4-5,8-9,12H2,1-3H3/t14-/m1/s1.
What are the key properties of 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine?
4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine has a molecular weight of 312.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-6-propylpyrimidine is sourced from PubChem (CID 97131874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).