N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine

C16H21IN4 — CID 81307662

IUPACN-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C)cn2)nc(CC(C)C)c1I
InChIInChI=1S/C16H21IN4/c1-5-18-16-14(17)13(8-10(2)3)20-15(21-16)12-7-6-11(4)9-19-12/h6-7,9-10H,5,8H2,1-4H3,(H,18,20,21)
InChIKeyVXPLDBTVXPQISG-UHFFFAOYSA-N
MW396.28 g/mol
LogP4.08
Rot. Bonds5

About N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine

N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 81307662) has the molecular formula C16H21IN4 and a molecular weight of 396.28 g/mol. Its IUPAC name is N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
PubChem CID81307662
Molecular FormulaC16H21IN4
Molecular Weight396.28 g/mol
Exact Mass396.08
IUPAC NameN-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C)cn2)nc(CC(C)C)c1I
InChIInChI=1S/C16H21IN4/c1-5-18-16-14(17)13(8-10(2)3)20-15(21-16)12-7-6-11(4)9-19-12/h6-7,9-10H,5,8H2,1-4H3,(H,18,20,21)
InChIKeyVXPLDBTVXPQISG-UHFFFAOYSA-N
XLogP4.08
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine (CID 81307662) is N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine is CCNc1nc(-c2ccc(C)cn2)nc(CC(C)C)c1I.
What is the InChIKey of N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is VXPLDBTVXPQISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN4/c1-5-18-16-14(17)13(8-10(2)3)20-15(21-16)12-7-6-11(4)9-19-12/h6-7,9-10H,5,8H2,1-4H3,(H,18,20,21).
What are the key properties of N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine?
N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 396.28 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 81307662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).