5-butan-2-yl-4-propan-2-ylpyrimidine

C11H18N2 — CID 126657195

IUPAC5-butan-2-yl-4-propan-2-ylpyrimidine
SMILESCCC(C)c1cncnc1C(C)C
InChIInChI=1S/C11H18N2/c1-5-9(4)10-6-12-7-13-11(10)8(2)3/h6-9H,5H2,1-4H3
InChIKeyFWGLDAQBUBHVAK-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.11
Rot. Bonds3

About 5-butan-2-yl-4-propan-2-ylpyrimidine

5-butan-2-yl-4-propan-2-ylpyrimidine (PubChem CID 126657195) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-butan-2-yl-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-butan-2-yl-4-propan-2-ylpyrimidine
PubChem CID126657195
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-butan-2-yl-4-propan-2-ylpyrimidine
SMILESCCC(C)c1cncnc1C(C)C
InChIInChI=1S/C11H18N2/c1-5-9(4)10-6-12-7-13-11(10)8(2)3/h6-9H,5H2,1-4H3
InChIKeyFWGLDAQBUBHVAK-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5H-Cyclopenta[H]quinazoline, 6,7,8,9-tetrahydro-7,7,8,9,9-pentamethyl-
CID 68162365
5,6,7,8-Tetrahydroquinazolin-2-amine
CID 224783
Cyclododecapyrimidine, 5,6,7,8,9,10,11,12,13,14-decahydro-
CID 78154
4-(3,3-Dimethylbutyl)-5-methylpyrimidin-2-amine
CID 122516777
2-Methyl-5,6-cyclopentapyrimidine
CID 160264
5,6,7,8-Tetrahydroquinazoline
CID 637537
5H,6H,7H,8H,9H-cyclohepta(d)pyrimidin-2-amine
CID 63547880
5H,6H,7H-cyclopenta(d)pyrimidin-2-amine
CID 231639
4-Cyclopropylpyrimidin-2-amine
CID 3299593
N,N-dimethyl-4-propylpyrimidin-2-amine
CID 10820940
4-Isopropyl-N,N-dimethylpyrimidin-2-amine
CID 10820941
2,6-Dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 12450593

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-4-propan-2-ylpyrimidine?
The IUPAC name of 5-butan-2-yl-4-propan-2-ylpyrimidine (CID 126657195) is 5-butan-2-yl-4-propan-2-ylpyrimidine.
What is the SMILES notation for 5-butan-2-yl-4-propan-2-ylpyrimidine?
The canonical SMILES for 5-butan-2-yl-4-propan-2-ylpyrimidine is CCC(C)c1cncnc1C(C)C.
What is the InChIKey of 5-butan-2-yl-4-propan-2-ylpyrimidine?
The InChIKey is FWGLDAQBUBHVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-9(4)10-6-12-7-13-11(10)8(2)3/h6-9H,5H2,1-4H3.
What are the key properties of 5-butan-2-yl-4-propan-2-ylpyrimidine?
5-butan-2-yl-4-propan-2-ylpyrimidine has a molecular weight of 178.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-propan-2-ylpyrimidine is sourced from PubChem (CID 126657195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).