6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine

C15H23N5 — CID 80952506

IUPAC6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Cc2nccn2C)nc(C(C)C)n1
InChIInChI=1S/C15H23N5/c1-5-6-16-13-9-12(18-15(19-13)11(2)3)10-14-17-7-8-20(14)4/h7-9,11H,5-6,10H2,1-4H3,(H,16,18,19)
InChIKeyDKSNNFZJPRWSTP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.75
Rot. Bonds6

About 6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine

6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80952506) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80952506
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Cc2nccn2C)nc(C(C)C)n1
InChIInChI=1S/C15H23N5/c1-5-6-16-13-9-12(18-15(19-13)11(2)3)10-14-17-7-8-20(14)4/h7-9,11H,5-6,10H2,1-4H3,(H,16,18,19)
InChIKeyDKSNNFZJPRWSTP-UHFFFAOYSA-N
XLogP2.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-propan-2-yl-6-[(1-propylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80952651
4-N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957408
4-N-[2-(1-methylimidazol-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80816885
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-(2,2-dimethylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 103466665
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
6-(2-methylpyrazol-3-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952418
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine
CID 61242268

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80952506) is 6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(Cc2nccn2C)nc(C(C)C)n1.
What is the InChIKey of 6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is DKSNNFZJPRWSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-5-6-16-13-9-12(18-15(19-13)11(2)3)10-14-17-7-8-20(14)4/h7-9,11H,5-6,10H2,1-4H3,(H,16,18,19).
What are the key properties of 6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80952506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).