2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol

C15H28N4O2 — CID 80992097

IUPAC2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
SMILESCCCNc1nc(CCC)nc(NCC(C)(O)CO)c1C
InChIInChI=1S/C15H28N4O2/c1-5-7-12-18-13(16-8-6-2)11(3)14(19-12)17-9-15(4,21)10-20/h20-21H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyKWXJVAVJWSOLPB-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.71
Rot. Bonds9

About 2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol

2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol (PubChem CID 80992097) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
PubChem CID80992097
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
SMILESCCCNc1nc(CCC)nc(NCC(C)(O)CO)c1C
InChIInChI=1S/C15H28N4O2/c1-5-7-12-18-13(16-8-6-2)11(3)14(19-12)17-9-15(4,21)10-20/h20-21H,5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyKWXJVAVJWSOLPB-UHFFFAOYSA-N
XLogP1.71
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol with MolForge

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Related Compounds

3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992471
1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296289
3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179265
4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80980867
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylpropane-1,2-diol
CID 102758878
2-methyl-1-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80981087
methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986480
3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol
CID 80981891
6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80989648
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257430

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol?
The IUPAC name of 2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol (CID 80992097) is 2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for 2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol is CCCNc1nc(CCC)nc(NCC(C)(O)CO)c1C.
What is the InChIKey of 2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol?
The InChIKey is KWXJVAVJWSOLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-5-7-12-18-13(16-8-6-2)11(3)14(19-12)17-9-15(4,21)10-20/h20-21H,5-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol?
2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol has a molecular weight of 296.42 g/mol, XLogP of 1.71, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 80992097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).