5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine

C16H21IN4 — CID 66299761

IUPAC5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccccn2)nc(C(C)C)c1I
InChIInChI=1S/C16H21IN4/c1-4-8-19-16-14(17)15(11(2)3)20-13(21-16)10-12-7-5-6-9-18-12/h5-7,9,11H,4,8,10H2,1-3H3,(H,19,20,21)
InChIKeyQJFCFDAVRZAPGR-UHFFFAOYSA-N
MW396.28 g/mol
LogP4.01
Rot. Bonds6

About 5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine

5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66299761) has the molecular formula C16H21IN4 and a molecular weight of 396.28 g/mol. Its IUPAC name is 5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID66299761
Molecular FormulaC16H21IN4
Molecular Weight396.28 g/mol
Exact Mass396.08
IUPAC Name5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCNc1nc(Cc2ccccn2)nc(C(C)C)c1I
InChIInChI=1S/C16H21IN4/c1-4-8-19-16-14(17)15(11(2)3)20-13(21-16)10-12-7-5-6-9-18-12/h5-7,9,11H,4,8,10H2,1-3H3,(H,19,20,21)
InChIKeyQJFCFDAVRZAPGR-UHFFFAOYSA-N
XLogP4.01
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 54.01
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-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300150
2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300153
5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66300970
2-[2-(dimethylamino)ethyl]-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 115347066
5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
CID 66299368
N-ethyl-5-iodo-2-[(4-methylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 66300931
5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299562
5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305558
2-[(3-chlorophenyl)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66299752
5-iodo-2-(5-methylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66296414
5-iodo-6-propan-2-yl-N-propyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 66300350
5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305362

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 66299761) is 5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine is CCCNc1nc(Cc2ccccn2)nc(C(C)C)c1I.
What is the InChIKey of 5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is QJFCFDAVRZAPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN4/c1-4-8-19-16-14(17)15(11(2)3)20-13(21-16)10-12-7-5-6-9-18-12/h5-7,9,11H,4,8,10H2,1-3H3,(H,19,20,21).
What are the key properties of 5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine?
5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 396.28 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-propan-2-yl-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66299761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).