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

C15H21N5O — CID 106378820

IUPAC2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(NCc2nc(C)c(C)o2)c1C
InChIInChI=1S/C15H21N5O/c1-8-13(16-4)19-15(11-5-6-11)20-14(8)17-7-12-18-9(2)10(3)21-12/h11H,5-7H2,1-4H3,(H2,16,17,19,20)
InChIKeyKCMLQBLTXSTZDY-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.92
Rot. Bonds5

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

2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 106378820) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID106378820
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C2CC2)nc(NCc2nc(C)c(C)o2)c1C
InChIInChI=1S/C15H21N5O/c1-8-13(16-4)19-15(11-5-6-11)20-14(8)17-7-12-18-9(2)10(3)21-12/h11H,5-7H2,1-4H3,(H2,16,17,19,20)
InChIKeyKCMLQBLTXSTZDY-UHFFFAOYSA-N
XLogP2.92
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

2-cyclopropyl-4-N-(3-methoxypropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980570
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 106378873
2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985468
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992851
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80984101
2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992318
ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80993671
4-N-cyclohexyl-2-cyclopropyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980958
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 106378791
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098766
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80983688
2-cyclopropyl-6-N,5-dimethyl-4-N-(1-methylcyclopentyl)pyrimidine-4,6-diamine
CID 80991566

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine (CID 106378820) is 2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1nc(C2CC2)nc(NCc2nc(C)c(C)o2)c1C.
What is the InChIKey of 2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is KCMLQBLTXSTZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-8-13(16-4)19-15(11-5-6-11)20-14(8)17-7-12-18-9(2)10(3)21-12/h11H,5-7H2,1-4H3,(H2,16,17,19,20).
What are the key properties of 2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 106378820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).