3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol

C12H21N3O — CID 103705117

IUPAC3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nccc(C)n1
InChIInChI=1S/C12H21N3O/c1-3-4-11(6-8-16)9-14-12-13-7-5-10(2)15-12/h5,7,11,16H,3-4,6,8-9H2,1-2H3,(H,13,14,15)
InChIKeyCWMXWBJTZRIXAE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.00
Rot. Bonds7

About 3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol

3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol (PubChem CID 103705117) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
PubChem CID103705117
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nccc(C)n1
InChIInChI=1S/C12H21N3O/c1-3-4-11(6-8-16)9-14-12-13-7-5-10(2)15-12/h5,7,11,16H,3-4,6,8-9H2,1-2H3,(H,13,14,15)
InChIKeyCWMXWBJTZRIXAE-UHFFFAOYSA-N
XLogP2.00
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylpyrimidin-2-yl)amino]propan-2-ol
CID 62958560
2-[2-(2-hydroxyethyl)pentylamino]-6-methylpyrimidine-4-carbonitrile
CID 106115688
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
CID 104924549
3-[[(5,6-diethyl-1,2,4-triazin-3-yl)amino]methyl]hexan-1-ol
CID 106544559
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 106115742
4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103703910
3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118514
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118528
3-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80926437
3-[[(3-methylquinoxalin-2-yl)amino]methyl]hexan-1-ol
CID 103705127
3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol
CID 106113661
3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106115743

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol (CID 103705117) is 3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1nccc(C)n1.
What is the InChIKey of 3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol?
The InChIKey is CWMXWBJTZRIXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-11(6-8-16)9-14-12-13-7-5-10(2)15-12/h5,7,11,16H,3-4,6,8-9H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol?
3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methylpyrimidin-2-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 103705117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).