3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol

C11H21N5O2 — CID 114152267

IUPAC3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
SMILESCCNc1cc(NC(CCO)COC)nc(N)n1
InChIInChI=1S/C11H21N5O2/c1-3-13-9-6-10(16-11(12)15-9)14-8(4-5-17)7-18-2/h6,8,17H,3-5,7H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyGBGFQLQVJKCTLZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.30
Rot. Bonds8

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

3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol (PubChem CID 114152267) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
PubChem CID114152267
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
SMILESCCNc1cc(NC(CCO)COC)nc(N)n1
InChIInChI=1S/C11H21N5O2/c1-3-13-9-6-10(16-11(12)15-9)14-8(4-5-17)7-18-2/h6,8,17H,3-5,7H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyGBGFQLQVJKCTLZ-UHFFFAOYSA-N
XLogP0.30
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol with MolForge

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Related Compounds

6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
CID 80837603
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163088
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163180
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 80840157
4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163010
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198670
4-methoxy-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163156
6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine
CID 80818389
2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 80959752
4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 114152250
2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825945
4-methoxy-3-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 103703344

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol (CID 114152267) is 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol is CCNc1cc(NC(CCO)COC)nc(N)n1.
What is the InChIKey of 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The InChIKey is GBGFQLQVJKCTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-3-13-9-6-10(16-11(12)15-9)14-8(4-5-17)7-18-2/h6,8,17H,3-5,7H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 0.30, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 114152267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).