1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol

C14H27N5O2 — CID 106150090

IUPAC1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
SMILESCCNc1cc(NCC(C)(O)CN(C)C)nc(COC)n1
InChIInChI=1S/C14H27N5O2/c1-6-15-11-7-12(18-13(17-11)8-21-5)16-9-14(2,20)10-19(3)4/h7,20H,6,8-10H2,1-5H3,(H2,15,16,17,18)
InChIKeyDAWQZCJHYHTGLF-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.78
Rot. Bonds9

About 1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol

1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol (PubChem CID 106150090) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
PubChem CID106150090
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
SMILESCCNc1cc(NCC(C)(O)CN(C)C)nc(COC)n1
InChIInChI=1S/C14H27N5O2/c1-6-15-11-7-12(18-13(17-11)8-21-5)16-9-14(2,20)10-19(3)4/h7,20H,6,8-10H2,1-5H3,(H2,15,16,17,18)
InChIKeyDAWQZCJHYHTGLF-UHFFFAOYSA-N
XLogP0.78
TPSA82.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296318
1-(dimethylamino)-3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150364
1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106149394
1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106257910
1-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248979
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940430
1-(dimethylamino)-2-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 106150185
1-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249085
1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248913
1-(dimethylamino)-3-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 114150416
4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
CID 113401240
4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 102998801

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol (CID 106150090) is 1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol is CCNc1cc(NCC(C)(O)CN(C)C)nc(COC)n1.
What is the InChIKey of 1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The InChIKey is DAWQZCJHYHTGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-6-15-11-7-12(18-13(17-11)8-21-5)16-9-14(2,20)10-19(3)4/h7,20H,6,8-10H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 0.78, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 106150090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).