5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C16H21IN4 — CID 66299562

IUPAC5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc(C)n2)nc(C(C)C)c1I
InChIInChI=1S/C16H21IN4/c1-5-9-18-16-13(17)14(10(2)3)20-15(21-16)12-8-6-7-11(4)19-12/h6-8,10H,5,9H2,1-4H3,(H,18,20,21)
InChIKeyPMZYCLSUDDOFDN-UHFFFAOYSA-N
MW396.28 g/mol
LogP4.40
Rot. Bonds5

About 5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 66299562) has the molecular formula C16H21IN4 and a molecular weight of 396.28 g/mol. Its IUPAC name is 5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID66299562
Molecular FormulaC16H21IN4
Molecular Weight396.28 g/mol
Exact Mass396.08
IUPAC Name5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc(C)n2)nc(C(C)C)c1I
InChIInChI=1S/C16H21IN4/c1-5-9-18-16-13(17)14(10(2)3)20-15(21-16)12-8-6-7-11(4)19-12/h6-8,10H,5,9H2,1-4H3,(H,18,20,21)
InChIKeyPMZYCLSUDDOFDN-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-(5-methylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66296414
5-bromo-6-methyl-2-(6-methyl-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 66305685
2-(furan-3-yl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300943
5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 66300350
5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
CID 66299368
2-benzyl-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300352
6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 103348426
2-(2,6-dimethyl-4-pyridinyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 107504360
5-iodo-2-(6-methoxy-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 103348431
N-ethyl-5-iodo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66300343
5-iodo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300150
5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66299761

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 66299562) is 5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cccc(C)n2)nc(C(C)C)c1I.
What is the InChIKey of 5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is PMZYCLSUDDOFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN4/c1-5-9-18-16-13(17)14(10(2)3)20-15(21-16)12-8-6-7-11(4)19-12/h6-8,10H,5,9H2,1-4H3,(H,18,20,21).
What are the key properties of 5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 396.28 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66299562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).