3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol

C10H17ClN4O2 — CID 114150856

IUPAC3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nc(Cl)nc(C)c1N
InChIInChI=1S/C10H17ClN4O2/c1-6-8(12)9(15-10(11)13-6)14-7(3-4-16)5-17-2/h7,16H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyCQXBUNODXKQXLY-UHFFFAOYSA-N
MW260.72 g/mol
LogP0.83
Rot. Bonds6

About 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol

3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol (PubChem CID 114150856) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
PubChem CID114150856
Molecular FormulaC10H17ClN4O2
Molecular Weight260.72 g/mol
Exact Mass260.10
IUPAC Name3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nc(Cl)nc(C)c1N
InChIInChI=1S/C10H17ClN4O2/c1-6-8(12)9(15-10(11)13-6)14-7(3-4-16)5-17-2/h7,16H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyCQXBUNODXKQXLY-UHFFFAOYSA-N
XLogP0.83
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol (CID 114150856) is 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol is COCC(CCO)Nc1nc(Cl)nc(C)c1N.
What is the InChIKey of 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
The InChIKey is CQXBUNODXKQXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2/c1-6-8(12)9(15-10(11)13-6)14-7(3-4-16)5-17-2/h7,16H,3-5,12H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol?
3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol has a molecular weight of 260.72 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 114150856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).