N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine

C15H21N5O — CID 97187990

IUPACN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine
SMILESCCc1cc(N[C@H](c2nc(C3CC3)no2)C(C)C)ncn1
InChIInChI=1S/C15H21N5O/c1-4-11-7-12(17-8-16-11)18-13(9(2)3)15-19-14(20-21-15)10-5-6-10/h7-10,13H,4-6H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyZRFVQNHYMMBAAS-ZDUSSCGKSA-N
MW287.37 g/mol
LogP3.11
Rot. Bonds6

About N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine

N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine (PubChem CID 97187990) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine
PubChem CID97187990
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine
SMILESCCc1cc(N[C@H](c2nc(C3CC3)no2)C(C)C)ncn1
InChIInChI=1S/C15H21N5O/c1-4-11-7-12(17-8-16-11)18-13(9(2)3)15-19-14(20-21-15)10-5-6-10/h7-10,13H,4-6H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyZRFVQNHYMMBAAS-ZDUSSCGKSA-N
XLogP3.11
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine (CID 97187990) is N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine is CCc1cc(N[C@H](c2nc(C3CC3)no2)C(C)C)ncn1.
What is the InChIKey of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine?
The InChIKey is ZRFVQNHYMMBAAS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-11-7-12(17-8-16-11)18-13(9(2)3)15-19-14(20-21-15)10-5-6-10/h7-10,13H,4-6H2,1-3H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine?
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 97187990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).