3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol

C12H22N4O — CID 83180465

IUPAC3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol
SMILESCCCc1nc(NC)cc(NC(C)CCO)n1
InChIInChI=1S/C12H22N4O/c1-4-5-10-15-11(13-3)8-12(16-10)14-9(2)6-7-17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyFZUPHVUPSGYZRF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.65
Rot. Bonds7

About 3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol

3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol (PubChem CID 83180465) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol
PubChem CID83180465
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol
SMILESCCCc1nc(NC)cc(NC(C)CCO)n1
InChIInChI=1S/C12H22N4O/c1-4-5-10-15-11(13-3)8-12(16-10)14-9(2)6-7-17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyFZUPHVUPSGYZRF-UHFFFAOYSA-N
XLogP1.65
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950100
3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 83180615
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80947239
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 113496687
4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
CID 80954835
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine
CID 80940320
6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine
CID 80946800
6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine
CID 80940743
4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80950094
6-N-methyl-4-N,2-dipropylpyrimidine-4,6-diamine
CID 80946214

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol (CID 83180465) is 3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol is CCCc1nc(NC)cc(NC(C)CCO)n1.
What is the InChIKey of 3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is FZUPHVUPSGYZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-10-15-11(13-3)8-12(16-10)14-9(2)6-7-17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol?
3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 83180465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).