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

C13H19N5O — CID 80813575

IUPAC6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cc(C)on2)c1CC
InChIInChI=1S/C13H19N5O/c1-4-11-12(14-5-2)16-8-17-13(11)15-7-10-6-9(3)19-18-10/h6,8H,4-5,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyANEBALGSDXLDCE-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.38
Rot. Bonds6

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

6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80813575) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80813575
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2cc(C)on2)c1CC
InChIInChI=1S/C13H19N5O/c1-4-11-12(14-5-2)16-8-17-13(11)15-7-10-6-9(3)19-18-10/h6,8H,4-5,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyANEBALGSDXLDCE-UHFFFAOYSA-N
XLogP2.38
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-chloro-5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
CID 63730016
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-oxazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 79917521
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80813211
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine
CID 65336736
6-chloro-4-N-ethyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80812986
6-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 62101050
6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 80902807
6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80807701
2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80958301
4-[(5-methyl-1,2-oxazol-3-yl)methylamino]quinazoline-7-carboxylic acid
CID 63263557
3,5-difluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 112675783

Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine (CID 80813575) is 6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine is CCNc1ncnc(NCc2cc(C)on2)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is ANEBALGSDXLDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-11-12(14-5-2)16-8-17-13(11)15-7-10-6-9(3)19-18-10/h6,8H,4-5,7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 261.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80813575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).