5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine

C15H20IN5 — CID 115528491

IUPAC5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccnc(C)n2)nc(CCC)c1I
InChIInChI=1S/C15H20IN5/c1-4-6-11-13(16)15(18-8-5-2)21-14(20-11)12-7-9-17-10(3)19-12/h7,9H,4-6,8H2,1-3H3,(H,18,20,21)
InChIKeyAIJSDNXVDBPSQT-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.62
Rot. Bonds6

About 5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine

5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine (PubChem CID 115528491) has the molecular formula C15H20IN5 and a molecular weight of 397.26 g/mol. Its IUPAC name is 5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine
PubChem CID115528491
Molecular FormulaC15H20IN5
Molecular Weight397.26 g/mol
Exact Mass397.08
IUPAC Name5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccnc(C)n2)nc(CCC)c1I
InChIInChI=1S/C15H20IN5/c1-4-6-11-13(16)15(18-8-5-2)21-14(20-11)12-7-9-17-10(3)19-12/h7,9H,4-6,8H2,1-3H3,(H,18,20,21)
InChIKeyAIJSDNXVDBPSQT-UHFFFAOYSA-N
XLogP3.62
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-(3-methylfuran-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 104806784
5-iodo-N-methyl-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528560
5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine
CID 115528480
2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine
CID 66306993
N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 66306784
2-(3,4-dimethylphenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66296731
6-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 103348426
6-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-N-propylpyrimidin-4-amine
CID 103375031
5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66306328
2-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
6-tert-butyl-5-iodo-N-propyl-2-pyridin-2-ylpyrimidin-4-amine
CID 66301189
5-iodo-2-(6-methyl-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299562

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine (CID 115528491) is 5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine is CCCNc1nc(-c2ccnc(C)n2)nc(CCC)c1I.
What is the InChIKey of 5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine?
The InChIKey is AIJSDNXVDBPSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN5/c1-4-6-11-13(16)15(18-8-5-2)21-14(20-11)12-7-9-17-10(3)19-12/h7,9H,4-6,8H2,1-3H3,(H,18,20,21).
What are the key properties of 5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine?
5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine has a molecular weight of 397.26 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine is sourced from PubChem (CID 115528491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).