4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine

C11H16N6O — CID 135092417

IUPAC4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(NCc2nonc2C)nc1N(C)C
InChIInChI=1S/C11H16N6O/c1-7-5-12-11(14-10(7)17(3)4)13-6-9-8(2)15-18-16-9/h5H,6H2,1-4H3,(H,12,13,14)
InChIKeyKQTNLYSHGWBOQM-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.15
Rot. Bonds4

About 4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine

4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 135092417) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID135092417
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(NCc2nonc2C)nc1N(C)C
InChIInChI=1S/C11H16N6O/c1-7-5-12-11(14-10(7)17(3)4)13-6-9-8(2)15-18-16-9/h5H,6H2,1-4H3,(H,12,13,14)
InChIKeyKQTNLYSHGWBOQM-UHFFFAOYSA-N
XLogP1.15
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-N,4-N,5-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 134700623
2-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 95127438
4-N,4-N,5-trimethyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 157018110
2-N-[(2-chloro-6-fluorophenyl)methyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 134699655
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine
CID 95120403
2-N-(3-cyclohexyloxypropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 135108611
N-[3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]propyl]-4-methylbenzenesulfonamide
CID 134711398
2-N-[2-(dimethylamino)-3-pyridinyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157018593
2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol
CID 157017666
2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 95143763
4-N-[2-(dimethylamino)ethyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845865

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 135092417) is 4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine is Cc1cnc(NCc2nonc2C)nc1N(C)C.
What is the InChIKey of 4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KQTNLYSHGWBOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-5-12-11(14-10(7)17(3)4)13-6-9-8(2)15-18-16-9/h5H,6H2,1-4H3,(H,12,13,14).
What are the key properties of 4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine?
4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 248.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-trimethyl-2-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 135092417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).