N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine

C14H17IN4 — CID 66299480

IUPACN,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(Cc2cccnc2)nc(CC)c1I
InChIInChI=1S/C14H17IN4/c1-3-11-13(15)14(17-4-2)19-12(18-11)8-10-6-5-7-16-9-10/h5-7,9H,3-4,8H2,1-2H3,(H,17,18,19)
InChIKeyNJXWFJVJPYEBMZ-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.06
Rot. Bonds5

About N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine

N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 66299480) has the molecular formula C14H17IN4 and a molecular weight of 368.22 g/mol. Its IUPAC name is N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID66299480
Molecular FormulaC14H17IN4
Molecular Weight368.22 g/mol
Exact Mass368.05
IUPAC NameN,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(Cc2cccnc2)nc(CC)c1I
InChIInChI=1S/C14H17IN4/c1-3-11-13(15)14(17-4-2)19-12(18-11)8-10-6-5-7-16-9-10/h5-7,9H,3-4,8H2,1-2H3,(H,17,18,19)
InChIKeyNJXWFJVJPYEBMZ-UHFFFAOYSA-N
XLogP3.06
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.06
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

2-[(4-chlorophenyl)methyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66300863
N,6-diethyl-5-iodo-2-pyridin-3-ylpyrimidin-4-amine
CID 66299682
2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66306395
[6-ethyl-5-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 63559686
2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299095
2-ethyl-N,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737212
N-ethyl-4,5-dimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
CID 113447077
N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine
CID 66299485
5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 66300576
2-[(2-chloro-4-fluorophenyl)methyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299683
4-ethyl-2,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidine
CID 134451931
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 66299480) is N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine is CCNc1nc(Cc2cccnc2)nc(CC)c1I.
What is the InChIKey of N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is NJXWFJVJPYEBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN4/c1-3-11-13(15)14(17-4-2)19-12(18-11)8-10-6-5-7-16-9-10/h5-7,9H,3-4,8H2,1-2H3,(H,17,18,19).
What are the key properties of N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine?
N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 368.22 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-5-iodo-2-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66299480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).