2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol

C15H19IN4O — CID 166957770

IUPAC2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol
SMILESCCCc1ncc(I)c(Nc2cccc(C(C)(C)O)n2)n1
InChIInChI=1S/C15H19IN4O/c1-4-6-12-17-9-10(16)14(19-12)20-13-8-5-7-11(18-13)15(2,3)21/h5,7-9,21H,4,6H2,1-3H3,(H,17,18,19,20)
InChIKeyAXPIHLODAXACBO-UHFFFAOYSA-N
MW398.25 g/mol
LogP3.40
Rot. Bonds5

About 2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol

2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol (PubChem CID 166957770) has the molecular formula C15H19IN4O and a molecular weight of 398.25 g/mol. Its IUPAC name is 2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol
PubChem CID166957770
Molecular FormulaC15H19IN4O
Molecular Weight398.25 g/mol
Exact Mass398.06
IUPAC Name2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol
SMILESCCCc1ncc(I)c(Nc2cccc(C(C)(C)O)n2)n1
InChIInChI=1S/C15H19IN4O/c1-4-6-12-17-9-10(16)14(19-12)20-13-8-5-7-11(18-13)15(2,3)21/h5,7-9,21H,4,6H2,1-3H3,(H,17,18,19,20)
InChIKeyAXPIHLODAXACBO-UHFFFAOYSA-N
XLogP3.40
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol (CID 166957770) is 2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol is CCCc1ncc(I)c(Nc2cccc(C(C)(C)O)n2)n1.
What is the InChIKey of 2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol?
The InChIKey is AXPIHLODAXACBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN4O/c1-4-6-12-17-9-10(16)14(19-12)20-13-8-5-7-11(18-13)15(2,3)21/h5,7-9,21H,4,6H2,1-3H3,(H,17,18,19,20).
What are the key properties of 2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol?
2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol has a molecular weight of 398.25 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(5-iodo-2-propylpyrimidin-4-yl)amino]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 166957770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).