3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol

C12H22N4O — CID 113496687

IUPAC3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCc1nc(NC)cc(NC(CC)CCO)n1
InChIInChI=1S/C12H22N4O/c1-4-9(6-7-17)14-12-8-11(13-3)15-10(5-2)16-12/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyAYLVGIGJLKOYGD-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.65
Rot. Bonds7

About 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol

3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 113496687) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID113496687
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCc1nc(NC)cc(NC(CC)CCO)n1
InChIInChI=1S/C12H22N4O/c1-4-9(6-7-17)14-12-8-11(13-3)15-10(5-2)16-12/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyAYLVGIGJLKOYGD-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

Analyze 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol with MolForge

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Related Compounds

2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028873
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163088
2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950100
3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol
CID 83180465
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
CID 80937394
2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 80780450
6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80944320
4-(1-hydroxypentan-3-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136957293
6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 114009544
5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324238
4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 114152250

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol (CID 113496687) is 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol is CCc1nc(NC)cc(NC(CC)CCO)n1.
What is the InChIKey of 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is AYLVGIGJLKOYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-9(6-7-17)14-12-8-11(13-3)15-10(5-2)16-12/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol?
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-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-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 113496687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).