2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol

C10H17N3O2 — CID 79245905

IUPAC2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCOc1cc(NC(CO)C(C)C)ncn1
InChIInChI=1S/C10H17N3O2/c1-7(2)8(5-14)13-9-4-10(15-3)12-6-11-9/h4,6-8,14H,5H2,1-3H3,(H,11,12,13)
InChIKeyPGOWDRJZNOAIBO-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.91
Rot. Bonds5

About 2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol

2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 79245905) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID79245905
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCOc1cc(NC(CO)C(C)C)ncn1
InChIInChI=1S/C10H17N3O2/c1-7(2)8(5-14)13-9-4-10(15-3)12-6-11-9/h4,6-8,14H,5H2,1-3H3,(H,11,12,13)
InChIKeyPGOWDRJZNOAIBO-UHFFFAOYSA-N
XLogP0.91
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol (CID 79245905) is 2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol is COc1cc(NC(CO)C(C)C)ncn1.
What is the InChIKey of 2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is PGOWDRJZNOAIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)8(5-14)13-9-4-10(15-3)12-6-11-9/h4,6-8,14H,5H2,1-3H3,(H,11,12,13).
What are the key properties of 2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol?
2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxypyrimidin-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79245905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).