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

C12H17N5O — CID 106378679

IUPAC6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ncc(C)o2)nc(C)n1
InChIInChI=1S/C12H17N5O/c1-4-13-10-5-11(17-9(3)16-10)14-7-12-15-6-8(2)18-12/h5-6H,4,7H2,1-3H3,(H2,13,14,16,17)
InChIKeyTVARIGJEMGIPRB-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.13
Rot. Bonds5

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

6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 106378679) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID106378679
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ncc(C)o2)nc(C)n1
InChIInChI=1S/C12H17N5O/c1-4-13-10-5-11(17-9(3)16-10)14-7-12-15-6-8(2)18-12/h5-6H,4,7H2,1-3H3,(H2,13,14,16,17)
InChIKeyTVARIGJEMGIPRB-UHFFFAOYSA-N
XLogP2.13
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736691
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 106378500
3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine
CID 106378568
6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 106379019
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133461543
6-N,2-diethyl-5-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 106378700
4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106378659
5-chloro-2-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 106378760
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106378642
5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazine-2-carboxamide
CID 106377240

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine (CID 106378679) is 6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine is CCNc1cc(NCc2ncc(C)o2)nc(C)n1.
What is the InChIKey of 6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is TVARIGJEMGIPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-13-10-5-11(17-9(3)16-10)14-7-12-15-6-8(2)18-12/h5-6H,4,7H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine?
6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 247.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106378679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).