N-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine

C11H19N3O — CID 59849231

IUPACN-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine
SMILESCOC[C@@H](C)Nc1nccc(C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-8(2)10-5-6-12-11(14-10)13-9(3)7-15-4/h5-6,8-9H,7H2,1-4H3,(H,12,13,14)/t9-/m1/s1
InChIKeyNZTWQNVECHIANU-SECBINFHSA-N
MW209.29 g/mol
LogP2.05
Rot. Bonds5

About N-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine

N-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine (PubChem CID 59849231) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine
PubChem CID59849231
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine
SMILESCOC[C@@H](C)Nc1nccc(C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-8(2)10-5-6-12-11(14-10)13-9(3)7-15-4/h5-6,8-9H,7H2,1-4H3,(H,12,13,14)/t9-/m1/s1
InChIKeyNZTWQNVECHIANU-SECBINFHSA-N
XLogP2.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine (CID 59849231) is N-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine is COC[C@@H](C)Nc1nccc(C(C)C)n1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine?
The InChIKey is NZTWQNVECHIANU-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)10-5-6-12-11(14-10)13-9(3)7-15-4/h5-6,8-9H,7H2,1-4H3,(H,12,13,14)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine?
N-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine has a molecular weight of 209.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-4-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 59849231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).