4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine

C14H23N3 — CID 126593372

IUPAC4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine
SMILESC=CC(C(C)C)C(C)Cc1ncnc(C)c1N
InChIInChI=1S/C14H23N3/c1-6-12(9(2)3)10(4)7-13-14(15)11(5)16-8-17-13/h6,8-10,12H,1,7,15H2,2-5H3
InChIKeyLJMPEZSUBMYHAW-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.00
Rot. Bonds5

About 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine

4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine (PubChem CID 126593372) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine
PubChem CID126593372
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine
SMILESC=CC(C(C)C)C(C)Cc1ncnc(C)c1N
InChIInChI=1S/C14H23N3/c1-6-12(9(2)3)10(4)7-13-14(15)11(5)16-8-17-13/h6,8-10,12H,1,7,15H2,2-5H3
InChIKeyLJMPEZSUBMYHAW-UHFFFAOYSA-N
XLogP3.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3,4-dimethylpentan-2-yl)-6-ethenyl-2-fluoropyrimidin-5-yl]ethanimine
CID 122596871
4-(4-Cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine
CID 123266571
4-(1-Fluoro-3-methylbutyl)-6-methylpyrimidine
CID 123932885
4-(5-Fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine
CID 126593499
4-(2,3-Dimethylpent-4-enyl)-2-fluoro-6-methylpyrimidin-5-amine
CID 126599342
4-(2-Fluoropropan-2-yl)-6-propan-2-ylpyrimidine
CID 144787122
4-Dodecan-5-yl-6-(trifluoromethyl)pyrimidine
CID 146203765
5-Fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine
CID 146377504
4-Fluoro-6-tridecan-7-ylpyrimidine
CID 155010668
6-fluoro-7-methyl-8,9-dihydro-7H-pyrimido[5,4-b]azepin-4-amine
CID 155245230
(9R)-2-fluoro-9,10-dimethyl-8,9,10,11-tetrahydro-7H-pyrimido[5,4-b]azonin-4-amine
CID 163874567
N-[4-[(Z,4Z)-4-(2-fluoroethylidene)-5-methyloct-5-enyl]-6-methylpyrimidin-5-yl]-3-methyl-3-methylphosphanylbutan-2-imine
CID 166944163

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine?
The IUPAC name of 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine (CID 126593372) is 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine.
What is the SMILES notation for 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine?
The canonical SMILES for 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine is C=CC(C(C)C)C(C)Cc1ncnc(C)c1N.
What is the InChIKey of 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine?
The InChIKey is LJMPEZSUBMYHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-6-12(9(2)3)10(4)7-13-14(15)11(5)16-8-17-13/h6,8-10,12H,1,7,15H2,2-5H3.
What are the key properties of 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine?
4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine has a molecular weight of 233.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methyl-3-propan-2-ylpent-4-enyl)pyrimidin-5-amine is sourced from PubChem (CID 126593372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).