N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine

C17H20ClN3O — CID 133311560

IUPACN-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine
SMILESCOC(c1ccc(Cl)cc1)C(C)Nc1ccnc(C2CC2)n1
InChIInChI=1S/C17H20ClN3O/c1-11(16(22-2)12-5-7-14(18)8-6-12)20-15-9-10-19-17(21-15)13-3-4-13/h5-11,13,16H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyWYEWPBACQWBXQP-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.20
Rot. Bonds6

About N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine

N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine (PubChem CID 133311560) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine
PubChem CID133311560
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine
SMILESCOC(c1ccc(Cl)cc1)C(C)Nc1ccnc(C2CC2)n1
InChIInChI=1S/C17H20ClN3O/c1-11(16(22-2)12-5-7-14(18)8-6-12)20-15-9-10-19-17(21-15)13-3-4-13/h5-11,13,16H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyWYEWPBACQWBXQP-UHFFFAOYSA-N
XLogP4.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine (CID 133311560) is N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine is COC(c1ccc(Cl)cc1)C(C)Nc1ccnc(C2CC2)n1.
What is the InChIKey of N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine?
The InChIKey is WYEWPBACQWBXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-11(16(22-2)12-5-7-14(18)8-6-12)20-15-9-10-19-17(21-15)13-3-4-13/h5-11,13,16H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine?
N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine has a molecular weight of 317.82 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 133311560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).