4-methyl-6-propan-2-yl-2-propoxypyrimidine

C11H18N2O — CID 176993586

IUPAC4-methyl-6-propan-2-yl-2-propoxypyrimidine
SMILESCCCOc1nc(C)cc(C(C)C)n1
InChIInChI=1S/C11H18N2O/c1-5-6-14-11-12-9(4)7-10(13-11)8(2)3/h7-8H,5-6H2,1-4H3
InChIKeyNEJDDCJZKHVRQK-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.70
Rot. Bonds4

About 4-methyl-6-propan-2-yl-2-propoxypyrimidine

4-methyl-6-propan-2-yl-2-propoxypyrimidine (PubChem CID 176993586) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-2-propoxypyrimidine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-2-propoxypyrimidine
PubChem CID176993586
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-methyl-6-propan-2-yl-2-propoxypyrimidine
SMILESCCCOc1nc(C)cc(C(C)C)n1
InChIInChI=1S/C11H18N2O/c1-5-6-14-11-12-9(4)7-10(13-11)8(2)3/h7-8H,5-6H2,1-4H3
InChIKeyNEJDDCJZKHVRQK-UHFFFAOYSA-N
XLogP2.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine
CID 113491586
2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid
CID 114335295
6-methyl-2-propoxypyrimidine-4-carboxylic acid
CID 55269382
2-butoxy-6-methylpyrimidine-4-carbonitrile
CID 107545811
N-(1-methoxypentan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491509
[2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyphenyl]methanol
CID 107713463
2-(5-bromo-2-methylphenoxy)-4-methyl-6-propan-2-ylpyrimidine
CID 107284442
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
6-methyl-2-pentoxypyrimidine-4-carbonitrile
CID 107545813
3-bromo-5-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyaniline
CID 103589085
N-ethyl-2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxyethanamine
CID 112635282
4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine
CID 63405375

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-2-propoxypyrimidine?
The IUPAC name of 4-methyl-6-propan-2-yl-2-propoxypyrimidine (CID 176993586) is 4-methyl-6-propan-2-yl-2-propoxypyrimidine.
What is the SMILES notation for 4-methyl-6-propan-2-yl-2-propoxypyrimidine?
The canonical SMILES for 4-methyl-6-propan-2-yl-2-propoxypyrimidine is CCCOc1nc(C)cc(C(C)C)n1.
What is the InChIKey of 4-methyl-6-propan-2-yl-2-propoxypyrimidine?
The InChIKey is NEJDDCJZKHVRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-6-14-11-12-9(4)7-10(13-11)8(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 4-methyl-6-propan-2-yl-2-propoxypyrimidine?
4-methyl-6-propan-2-yl-2-propoxypyrimidine has a molecular weight of 194.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-2-propoxypyrimidine is sourced from PubChem (CID 176993586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).