2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine

C11H17N3 — CID 130668363

IUPAC2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine
SMILESCC(C)=CCCNc1ccnc(C)n1
InChIInChI=1S/C11H17N3/c1-9(2)5-4-7-13-11-6-8-12-10(3)14-11/h5-6,8H,4,7H2,1-3H3,(H,12,13,14)
InChIKeyVMKOOKCPPNVZEX-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.55
Rot. Bonds4

About 2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine

2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine (PubChem CID 130668363) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine
PubChem CID130668363
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine
SMILESCC(C)=CCCNc1ccnc(C)n1
InChIInChI=1S/C11H17N3/c1-9(2)5-4-7-13-11-6-8-12-10(3)14-11/h5-6,8H,4,7H2,1-3H3,(H,12,13,14)
InChIKeyVMKOOKCPPNVZEX-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoroethyl)-2-methylpyrimidin-4-amine
CID 130478085
N-butyl-2-methylpyrimidin-4-amine
CID 62785690
2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine
CID 130791698
N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
CID 130700379
1-N-(2-methylpyrimidin-4-yl)butane-1,3-diamine
CID 63251627
2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62786037
N-tert-butyl-3-[(2-methylpyrimidin-4-yl)amino]propanamide
CID 113243784
2-methyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrimidin-4-amine
CID 143699702
2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107816212
N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine
CID 62784368
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344
N-(2,2-dimethylbutyl)-2-methylpyrimidin-4-amine
CID 103462611

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine (CID 130668363) is 2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine is CC(C)=CCCNc1ccnc(C)n1.
What is the InChIKey of 2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine?
The InChIKey is VMKOOKCPPNVZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9(2)5-4-7-13-11-6-8-12-10(3)14-11/h5-6,8H,4,7H2,1-3H3,(H,12,13,14).
What are the key properties of 2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine?
2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine has a molecular weight of 191.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine is sourced from PubChem (CID 130668363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).