1,2,5-trimethyl-6-methylidene-4-propylpyrimidine

C11H18N2 — CID 143564056

IUPAC1,2,5-trimethyl-6-methylidene-4-propylpyrimidine
SMILESC=C1C(C)=C(CCC)N=C(C)N1C
InChIInChI=1S/C11H18N2/c1-6-7-11-8(2)9(3)13(5)10(4)12-11/h3,6-7H2,1-2,4-5H3
InChIKeyBMNWALWOGPKNHW-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.94
Rot. Bonds2

About 1,2,5-trimethyl-6-methylidene-4-propylpyrimidine

1,2,5-trimethyl-6-methylidene-4-propylpyrimidine (PubChem CID 143564056) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1,2,5-trimethyl-6-methylidene-4-propylpyrimidine.

Molecular Properties

Compound Name1,2,5-trimethyl-6-methylidene-4-propylpyrimidine
PubChem CID143564056
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1,2,5-trimethyl-6-methylidene-4-propylpyrimidine
SMILESC=C1C(C)=C(CCC)N=C(C)N1C
InChIInChI=1S/C11H18N2/c1-6-7-11-8(2)9(3)13(5)10(4)12-11/h3,6-7H2,1-2,4-5H3
InChIKeyBMNWALWOGPKNHW-UHFFFAOYSA-N
XLogP2.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diethyl-6-methyl-2-propan-2-yl-4H-pyrimidine
CID 20257824
1,2,4,5-Tetramethyl-6-methylidenepyrimidine
CID 53867761
1-Methyl-6-methylidene-4,5-di(propan-2-yl)pyrimidine
CID 68238808
N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
(5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine
CID 138637501
2-Methyl-4-methylidene-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine
CID 143526264
4-Ethyl-1,2,5-trimethyl-6-methylidenepyrimidine
CID 143564073
3-Butyl-2-methyl-4-methylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine
CID 144396330
ethane;N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide
CID 145212763
4-Ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine
CID 166689061
1,2-Dimethyl-4-methylidene-6-propan-2-ylpyrimidine
CID 166867535
1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine
CID 168932717

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-6-methylidene-4-propylpyrimidine?
The IUPAC name of 1,2,5-trimethyl-6-methylidene-4-propylpyrimidine (CID 143564056) is 1,2,5-trimethyl-6-methylidene-4-propylpyrimidine.
What is the SMILES notation for 1,2,5-trimethyl-6-methylidene-4-propylpyrimidine?
The canonical SMILES for 1,2,5-trimethyl-6-methylidene-4-propylpyrimidine is C=C1C(C)=C(CCC)N=C(C)N1C.
What is the InChIKey of 1,2,5-trimethyl-6-methylidene-4-propylpyrimidine?
The InChIKey is BMNWALWOGPKNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-7-11-8(2)9(3)13(5)10(4)12-11/h3,6-7H2,1-2,4-5H3.
What are the key properties of 1,2,5-trimethyl-6-methylidene-4-propylpyrimidine?
1,2,5-trimethyl-6-methylidene-4-propylpyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-6-methylidene-4-propylpyrimidine is sourced from PubChem (CID 143564056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).