2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol

C11H20N4O2 — CID 114212305

IUPAC2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
SMILESCCc1c(N)ncnc1NC(CO)CCOC
InChIInChI=1S/C11H20N4O2/c1-3-9-10(12)13-7-14-11(9)15-8(6-16)4-5-17-2/h7-8,16H,3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyKQXHBQRQOOGSEH-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.43
Rot. Bonds7

About 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol

2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol (PubChem CID 114212305) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
PubChem CID114212305
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
SMILESCCc1c(N)ncnc1NC(CO)CCOC
InChIInChI=1S/C11H20N4O2/c1-3-9-10(12)13-7-14-11(9)15-8(6-16)4-5-17-2/h7-8,16H,3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyKQXHBQRQOOGSEH-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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The IUPAC name of 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol (CID 114212305) is 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The canonical SMILES for 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol is CCc1c(N)ncnc1NC(CO)CCOC.
What is the InChIKey of 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The InChIKey is KQXHBQRQOOGSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-9-10(12)13-7-14-11(9)15-8(6-16)4-5-17-2/h7-8,16H,3-6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
2-[(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 2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 114212305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).