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

C13H19N5O — CID 112637652

IUPAC4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NCc2nccn2C)n1
InChIInChI=1S/C13H19N5O/c1-9(2)19-12-7-10(3)16-13(17-12)15-8-11-14-5-6-18(11)4/h5-7,9H,8H2,1-4H3,(H,15,16,17)
InChIKeyGLMODKLMZOYLBL-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.92
Rot. Bonds5

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

4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 112637652) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
PubChem CID112637652
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NCc2nccn2C)n1
InChIInChI=1S/C13H19N5O/c1-9(2)19-12-7-10(3)16-13(17-12)15-8-11-14-5-6-18(11)4/h5-7,9H,8H2,1-4H3,(H,15,16,17)
InChIKeyGLMODKLMZOYLBL-UHFFFAOYSA-N
XLogP1.92
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814989
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
CID 112637367
4-methyl-N-(2-piperidin-1-ylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 115974823
2-chloro-6-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 63294630
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637759
4-methyl-6-propan-2-yloxy-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
CID 115974354
4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine
CID 107159428
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine (CID 112637652) is 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(NCc2nccn2C)n1.
What is the InChIKey of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is GLMODKLMZOYLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9(2)19-12-7-10(3)16-13(17-12)15-8-11-14-5-6-18(11)4/h5-7,9H,8H2,1-4H3,(H,15,16,17).
What are the key properties of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine?
4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 261.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112637652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).