4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine

C12H16N6O — CID 72891962

IUPAC4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C12H16N6O/c1-7-5-14-12(13)16-10(7)18(2)6-9-15-11(19-17-9)8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H2,13,14,16)
InChIKeyDIAURLAFJFCHAP-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.26
Rot. Bonds4

About 4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine

4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 72891962) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID72891962
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C12H16N6O/c1-7-5-14-12(13)16-10(7)18(2)6-9-15-11(19-17-9)8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H2,13,14,16)
InChIKeyDIAURLAFJFCHAP-UHFFFAOYSA-N
XLogP1.26
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine (CID 72891962) is 4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine is Cc1cnc(N)nc1N(C)Cc1noc(C2CC2)n1.
What is the InChIKey of 4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is DIAURLAFJFCHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-7-5-14-12(13)16-10(7)18(2)6-9-15-11(19-17-9)8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H2,13,14,16).
What are the key properties of 4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine?
4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 260.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 72891962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).