2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine

C11H15N3 — CID 116644585

IUPAC2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine
SMILESCC#CCCNc1cc(C)nc(C)n1
InChIInChI=1S/C11H15N3/c1-4-5-6-7-12-11-8-9(2)13-10(3)14-11/h8H,6-7H2,1-3H3,(H,12,13,14)
InChIKeyUFMUUHUAYHHVNS-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.92
Rot. Bonds3

About 2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine

2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine (PubChem CID 116644585) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine
PubChem CID116644585
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine
SMILESCC#CCCNc1cc(C)nc(C)n1
InChIInChI=1S/C11H15N3/c1-4-5-6-7-12-11-8-9(2)13-10(3)14-11/h8H,6-7H2,1-3H3,(H,12,13,14)
InChIKeyUFMUUHUAYHHVNS-UHFFFAOYSA-N
XLogP1.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Crimidine
CID 10813
2,6-Dimethyl-4-aminopyrimidine
CID 68039
2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
2-Chloro-6-methylpyrimidin-4-amine
CID 312629
6-Methylpyrimidin-4-amine
CID 572852
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine
CID 46225979
2-chloro-N-ethyl-6-methylpyrimidin-4-amine
CID 312603
2-N-cyclohexyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225981
2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225986
4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine
CID 46225998

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine (CID 116644585) is 2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine is CC#CCCNc1cc(C)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine?
The InChIKey is UFMUUHUAYHHVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-5-6-7-12-11-8-9(2)13-10(3)14-11/h8H,6-7H2,1-3H3,(H,12,13,14).
What are the key properties of 2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine?
2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine has a molecular weight of 189.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine is sourced from PubChem (CID 116644585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).