6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol

C12H22N4O — CID 107855289

IUPAC6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
SMILESCNc1nc(C)cc(NCCCCCCO)n1
InChIInChI=1S/C12H22N4O/c1-10-9-11(16-12(13-2)15-10)14-7-5-3-4-6-8-17/h9,17H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyYFXKIBSFXLZKBZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.79
Rot. Bonds8

About 6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol

6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol (PubChem CID 107855289) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
PubChem CID107855289
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
SMILESCNc1nc(C)cc(NCCCCCCO)n1
InChIInChI=1S/C12H22N4O/c1-10-9-11(16-12(13-2)15-10)14-7-5-3-4-6-8-17/h9,17H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyYFXKIBSFXLZKBZ-UHFFFAOYSA-N
XLogP1.79
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842931
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332206
methyl 4-(6-hydroxyhexylamino)-6-methylpyrimidine-2-carboxylate
CID 107848843
2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 80839141
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
2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179435
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]amino]pentan-1-ol
CID 71735482
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide
CID 113411160

Frequently Asked Questions

What is the IUPAC name of 6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol (CID 107855289) is 6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol is CNc1nc(C)cc(NCCCCCCO)n1.
What is the InChIKey of 6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol?
The InChIKey is YFXKIBSFXLZKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-9-11(16-12(13-2)15-10)14-7-5-3-4-6-8-17/h9,17H,3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol?
6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol is sourced from PubChem (CID 107855289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).