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

C13H24N4O2 — CID 106163088

IUPAC3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
SMILESCCNc1cc(NC(CCO)COC)nc(CC)n1
InChIInChI=1S/C13H24N4O2/c1-4-11-16-12(14-5-2)8-13(17-11)15-10(6-7-18)9-19-3/h8,10,18H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyMPOABKCZIRXLFT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.28
Rot. Bonds9

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

3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol (PubChem CID 106163088) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
PubChem CID106163088
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
SMILESCCNc1cc(NC(CCO)COC)nc(CC)n1
InChIInChI=1S/C13H24N4O2/c1-4-11-16-12(14-5-2)8-13(17-11)15-10(6-7-18)9-19-3/h8,10,18H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyMPOABKCZIRXLFT-UHFFFAOYSA-N
XLogP1.28
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152267
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163180
4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163010
6-N,2-diethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80933516
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
CID 80837603
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
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 113496687
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-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950028

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol (CID 106163088) is 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol is CCNc1cc(NC(CCO)COC)nc(CC)n1.
What is the InChIKey of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
The InChIKey is MPOABKCZIRXLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-11-16-12(14-5-2)8-13(17-11)15-10(6-7-18)9-19-3/h8,10,18H,4-7,9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol?
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 1.28, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106163088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).