3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol

C12H22N4O2 — CID 114152264

IUPAC3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
SMILESCNc1nc(C)nc(NC(CCO)COC)c1C
InChIInChI=1S/C12H22N4O2/c1-8-11(13-3)14-9(2)15-12(8)16-10(5-6-17)7-18-4/h10,17H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyWNKVVJAADOSBOT-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.94
Rot. Bonds7

About 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol

3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol (PubChem CID 114152264) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
PubChem CID114152264
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
SMILESCNc1nc(C)nc(NC(CCO)COC)c1C
InChIInChI=1S/C12H22N4O2/c1-8-11(13-3)14-9(2)15-12(8)16-10(5-6-17)7-18-4/h10,17H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyWNKVVJAADOSBOT-UHFFFAOYSA-N
XLogP0.94
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol (CID 114152264) is 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol is CNc1nc(C)nc(NC(CCO)COC)c1C.
What is the InChIKey of 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The InChIKey is WNKVVJAADOSBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8-11(13-3)14-9(2)15-12(8)16-10(5-6-17)7-18-4/h10,17H,5-7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 114152264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).