3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol

C11H20N4O2 — CID 114152252

IUPAC3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
SMILESCCc1c(N)ncnc1NC(CCO)COC
InChIInChI=1S/C11H20N4O2/c1-3-9-10(12)13-7-14-11(9)15-8(4-5-16)6-17-2/h7-8,16H,3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyPGYDBDCKMHGPTP-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.43
Rot. Bonds7

About 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol

3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol (PubChem CID 114152252) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
PubChem CID114152252
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
SMILESCCc1c(N)ncnc1NC(CCO)COC
InChIInChI=1S/C11H20N4O2/c1-3-9-10(12)13-7-14-11(9)15-8(4-5-16)6-17-2/h7-8,16H,3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyPGYDBDCKMHGPTP-UHFFFAOYSA-N
XLogP0.43
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114212305
4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol
CID 106163035
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114178343
4-N-(2,3-dimethoxypropyl)-5-ethylpyrimidine-4,6-diamine
CID 114102431
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198795
5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80803162
3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106153927
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propan-1-ol
CID 80770990
3-[(6-chloro-5-nitropyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106162487
2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106184118
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80850758

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol (CID 114152252) is 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol is CCc1c(N)ncnc1NC(CCO)COC.
What is the InChIKey of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The InChIKey is PGYDBDCKMHGPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-9-10(12)13-7-14-11(9)15-8(4-5-16)6-17-2/h7-8,16H,3-6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol has a molecular weight of 240.31 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 114152252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).