4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

C12H17N5O — CID 80813211

IUPAC4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1cc(CNc2ncnc(N)c2C(C)C)no1
InChIInChI=1S/C12H17N5O/c1-7(2)10-11(13)15-6-16-12(10)14-5-9-4-8(3)18-17-9/h4,6-7H,5H2,1-3H3,(H3,13,14,15,16)
InChIKeyLWQLSWAOAMOUHF-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.09
Rot. Bonds4

About 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80813211) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80813211
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1cc(CNc2ncnc(N)c2C(C)C)no1
InChIInChI=1S/C12H17N5O/c1-7(2)10-11(13)15-6-16-12(10)14-5-9-4-8(3)18-17-9/h4,6-7H,5H2,1-3H3,(H3,13,14,15,16)
InChIKeyLWQLSWAOAMOUHF-UHFFFAOYSA-N
XLogP2.09
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80793516
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114185482
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 79917521
6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80813575
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine
CID 65336736
6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
CID 63730016
4-N-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80816887
4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80830321
6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 80902807
4-N-(3-methyl-2-propan-2-ylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908901
4-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,5-diamine
CID 79175930

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine (CID 80813211) is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine is Cc1cc(CNc2ncnc(N)c2C(C)C)no1.
What is the InChIKey of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is LWQLSWAOAMOUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7(2)10-11(13)15-6-16-12(10)14-5-9-4-8(3)18-17-9/h4,6-7H,5H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 247.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80813211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).