2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine

C11H15N5O — CID 79224969

IUPAC2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine
SMILESCc1noc(C)c1C(C)Nc1ncc(N)cn1
InChIInChI=1S/C11H15N5O/c1-6(10-7(2)16-17-8(10)3)15-11-13-4-9(12)5-14-11/h4-6H,12H2,1-3H3,(H,13,14,15)
InChIKeyBHIGDBZRHRZION-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.84
Rot. Bonds3

About 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine

2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine (PubChem CID 79224969) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine
PubChem CID79224969
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine
SMILESCc1noc(C)c1C(C)Nc1ncc(N)cn1
InChIInChI=1S/C11H15N5O/c1-6(10-7(2)16-17-8(10)3)15-11-13-4-9(12)5-14-11/h4-6H,12H2,1-3H3,(H,13,14,15)
InChIKeyBHIGDBZRHRZION-UHFFFAOYSA-N
XLogP1.84
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine (CID 79224969) is 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine is Cc1noc(C)c1C(C)Nc1ncc(N)cn1.
What is the InChIKey of 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine?
The InChIKey is BHIGDBZRHRZION-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-6(10-7(2)16-17-8(10)3)15-11-13-4-9(12)5-14-11/h4-6H,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine?
2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine has a molecular weight of 233.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 79224969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).