3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol

C13H22N4O2 — CID 80992851

IUPAC3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
SMILESCNc1nc(C2CC2)nc(NCC(C)(O)CO)c1C
InChIInChI=1S/C13H22N4O2/c1-8-10(14-3)16-12(9-4-5-9)17-11(8)15-6-13(2,19)7-18/h9,18-19H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyFMAHKQWNUAKHRW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.86
Rot. Bonds6

About 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol

3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol (PubChem CID 80992851) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
PubChem CID80992851
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
SMILESCNc1nc(C2CC2)nc(NCC(C)(O)CO)c1C
InChIInChI=1S/C13H22N4O2/c1-8-10(14-3)16-12(9-4-5-9)17-11(8)15-6-13(2,19)7-18/h9,18-19H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyFMAHKQWNUAKHRW-UHFFFAOYSA-N
XLogP0.86
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol with MolForge

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Related Compounds

1-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106150366
ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80993671
2-cyclopropyl-4-N-(3-methoxypropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980570
3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80978642
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098766
4-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80992975
2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 106378820
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992471
2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985468
4-N-cyclohexyl-2-cyclopropyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980958
3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 80851174
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 66169135

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol (CID 80992851) is 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol is CNc1nc(C2CC2)nc(NCC(C)(O)CO)c1C.
What is the InChIKey of 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
The InChIKey is FMAHKQWNUAKHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8-10(14-3)16-12(9-4-5-9)17-11(8)15-6-13(2,19)7-18/h9,18-19H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol has a molecular weight of 266.34 g/mol, XLogP of 0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 80992851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).