1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol

C14H26N4O2 — CID 106296318

IUPAC1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(NCC)nc(COC)n1
InChIInChI=1S/C14H26N4O2/c1-5-7-14(3,19)10-16-12-8-11(15-6-2)17-13(18-12)9-20-4/h8,19H,5-7,9-10H2,1-4H3,(H2,15,16,17,18)
InChIKeyIAKHVXRLKRGTPW-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.02
Rot. Bonds9

About 1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol

1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol (PubChem CID 106296318) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
PubChem CID106296318
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(NCC)nc(COC)n1
InChIInChI=1S/C14H26N4O2/c1-5-7-14(3,19)10-16-12-8-11(15-6-2)17-13(18-12)9-20-4/h8,19H,5-7,9-10H2,1-4H3,(H2,15,16,17,18)
InChIKeyIAKHVXRLKRGTPW-UHFFFAOYSA-N
XLogP2.02
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150090
1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106257910
1-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296296
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296295
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169926
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256542
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169930
1-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248979
1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249085
3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80950175
4-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149886
1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248913

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol (CID 106296318) is 1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1cc(NCC)nc(COC)n1.
What is the InChIKey of 1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The InChIKey is IAKHVXRLKRGTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-7-14(3,19)10-16-12-8-11(15-6-2)17-13(18-12)9-20-4/h8,19H,5-7,9-10H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol has a molecular weight of 282.39 g/mol, XLogP of 2.02, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106296318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).