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

C14H21N5O — CID 80983112

IUPAC6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NCc2cc(C)no2)c1C
InChIInChI=1S/C14H21N5O/c1-8(2)12-17-13(15-5)10(4)14(18-12)16-7-11-6-9(3)19-20-11/h6,8H,7H2,1-5H3,(H2,15,16,17,18)
InChIKeyQWLURIUSMBQHCX-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.86
Rot. Bonds5

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

6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80983112) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80983112
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NCc2cc(C)no2)c1C
InChIInChI=1S/C14H21N5O/c1-8(2)12-17-13(15-5)10(4)14(18-12)16-7-11-6-9(3)19-20-11/h6,8H,7H2,1-5H3,(H2,15,16,17,18)
InChIKeyQWLURIUSMBQHCX-UHFFFAOYSA-N
XLogP2.86
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898131
4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80792368
4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102701807
4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol
CID 80992534
6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine
CID 113286515
4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 104767223
2-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]acetamide
CID 80981186
2,2-dimethyl-3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 115366534
6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980846
4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
CID 112637367
6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80813482
6-N-ethyl-5-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 106411949

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80983112) is 6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is CNc1nc(C(C)C)nc(NCc2cc(C)no2)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is QWLURIUSMBQHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-8(2)12-17-13(15-5)10(4)14(18-12)16-7-11-6-9(3)19-20-11/h6,8H,7H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 275.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80983112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).