N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine

C15H19IN4 — CID 66306784

IUPACN-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ncccc2C)nc(NCC)c1I
InChIInChI=1S/C15H19IN4/c1-4-7-11-12(16)14(17-5-2)20-15(19-11)13-10(3)8-6-9-18-13/h6,8-9H,4-5,7H2,1-3H3,(H,17,19,20)
InChIKeyZDDFWMASSNZRNG-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.84
Rot. Bonds5

About N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine

N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine (PubChem CID 66306784) has the molecular formula C15H19IN4 and a molecular weight of 382.25 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
PubChem CID66306784
Molecular FormulaC15H19IN4
Molecular Weight382.25 g/mol
Exact Mass382.07
IUPAC NameN-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ncccc2C)nc(NCC)c1I
InChIInChI=1S/C15H19IN4/c1-4-7-11-12(16)14(17-5-2)20-15(19-11)13-10(3)8-6-9-18-13/h6,8-9H,4-5,7H2,1-3H3,(H,17,19,20)
InChIKeyZDDFWMASSNZRNG-UHFFFAOYSA-N
XLogP3.84
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.84
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-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 66307763
2-(3,4-dimethylphenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66296731
5-bromo-N-ethyl-6-(methoxymethyl)-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66299210
2-(3-chloro-2-pyridinyl)-N-ethyl-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 103445182
N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 82733244
3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol
CID 66296345
N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine
CID 66299682
N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66306988
2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66304800
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine
CID 115528491
6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine
CID 82733246

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine (CID 66306784) is N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine is CCCc1nc(-c2ncccc2C)nc(NCC)c1I.
What is the InChIKey of N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine?
The InChIKey is ZDDFWMASSNZRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN4/c1-4-7-11-12(16)14(17-5-2)20-15(19-11)13-10(3)8-6-9-18-13/h6,8-9H,4-5,7H2,1-3H3,(H,17,19,20).
What are the key properties of N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine?
N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine has a molecular weight of 382.25 g/mol, XLogP of 3.84, 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-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66306784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).