2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol

C12H22N4O — CID 80780005

IUPAC2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1nc(C)nc(NC(C)CO)c1C
InChIInChI=1S/C12H22N4O/c1-5-6-13-11-9(3)12(14-8(2)7-17)16-10(4)15-11/h8,17H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyBDTFMEHGFADQNL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.71
Rot. Bonds6

About 2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol

2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 80780005) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID80780005
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1nc(C)nc(NC(C)CO)c1C
InChIInChI=1S/C12H22N4O/c1-5-6-13-11-9(3)12(14-8(2)7-17)16-10(4)15-11/h8,17H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyBDTFMEHGFADQNL-UHFFFAOYSA-N
XLogP1.71
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol with MolForge

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Related Compounds

4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propan-1-ol
CID 80993320
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80835008
(2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80992681
2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
CID 115327725
2-methyl-3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80991979
3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992450
2,5-dimethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80828474
1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296289

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 80780005) is 2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is CCCNc1nc(C)nc(NC(C)CO)c1C.
What is the InChIKey of 2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is BDTFMEHGFADQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-6-13-11-9(3)12(14-8(2)7-17)16-10(4)15-11/h8,17H,5-7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 80780005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).