2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol

C12H22N4O2 — CID 155429580

IUPAC2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
SMILESCCCCC(CO)Nc1nc(NC)ncc1OC
InChIInChI=1S/C12H22N4O2/c1-4-5-6-9(8-17)15-11-10(18-3)7-14-12(13-2)16-11/h7,9,17H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyMRKKUGDWODATMF-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.49
Rot. Bonds8

About 2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol

2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol (PubChem CID 155429580) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
PubChem CID155429580
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
SMILESCCCCC(CO)Nc1nc(NC)ncc1OC
InChIInChI=1S/C12H22N4O2/c1-4-5-6-9(8-17)15-11-10(18-3)7-14-12(13-2)16-11/h7,9,17H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyMRKKUGDWODATMF-UHFFFAOYSA-N
XLogP1.49
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol with MolForge

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Related Compounds

5-methoxy-4-N-[(4S)-oct-1-en-4-yl]pyrimidine-2,4-diamine
CID 89318038
N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide
CID 123903397
5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine
CID 126699792
3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate
CID 130357948
5-bromo-4-N-hexan-2-yl-2-N-methylpyrimidine-2,4-diamine
CID 80822744
(2S)-2-[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol
CID 70856449
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968
2-[[5-(2-methoxyethoxy)-2-methylpyrimidin-4-yl]amino]pentan-1-ol
CID 134569147
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163039
(2R)-2-[[6-chloro-2-[(2,4-dimethoxyphenyl)methylamino]-8-methylpyrido[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 122585284
2-[[2-amino-5-[(1,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol
CID 134569163
2-[(2,7-dichloropyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122584957

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol?
The IUPAC name of 2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol (CID 155429580) is 2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol.
What is the SMILES notation for 2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol?
The canonical SMILES for 2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol is CCCCC(CO)Nc1nc(NC)ncc1OC.
What is the InChIKey of 2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol?
The InChIKey is MRKKUGDWODATMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-5-6-9(8-17)15-11-10(18-3)7-14-12(13-2)16-11/h7,9,17H,4-6,8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol?
2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol is sourced from PubChem (CID 155429580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).