N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine

C13H19N5O — CID 95144106

IUPACN-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N[C@@H](Cn2ccnc2)C(C)C)ncn1
InChIInChI=1S/C13H19N5O/c1-10(2)11(7-18-5-4-14-9-18)17-12-6-13(19-3)16-8-15-12/h4-6,8-11H,7H2,1-3H3,(H,15,16,17)/t11-/m0/s1
InChIKeyYHGCNQFXJUOGAC-NSHDSACASA-N
MW261.33 g/mol
LogP1.82
Rot. Bonds6

About N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine

N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine (PubChem CID 95144106) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine
PubChem CID95144106
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N[C@@H](Cn2ccnc2)C(C)C)ncn1
InChIInChI=1S/C13H19N5O/c1-10(2)11(7-18-5-4-14-9-18)17-12-6-13(19-3)16-8-15-12/h4-6,8-11H,7H2,1-3H3,(H,15,16,17)/t11-/m0/s1
InChIKeyYHGCNQFXJUOGAC-NSHDSACASA-N
XLogP1.82
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine (CID 95144106) is N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine is COc1cc(N[C@@H](Cn2ccnc2)C(C)C)ncn1.
What is the InChIKey of N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is YHGCNQFXJUOGAC-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)11(7-18-5-4-14-9-18)17-12-6-13(19-3)16-8-15-12/h4-6,8-11H,7H2,1-3H3,(H,15,16,17)/t11-/m0/s1.
What are the key properties of N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine?
N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 95144106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).