N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine

C14H23IN4O — CID 79657564

IUPACN-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
SMILESCCCN1CCOC(c2nc(C)c(I)c(NCC)n2)C1
InChIInChI=1S/C14H23IN4O/c1-4-6-19-7-8-20-11(9-19)13-17-10(3)12(15)14(18-13)16-5-2/h11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyLDTFRFIFRAKYJW-UHFFFAOYSA-N
MW390.27 g/mol
LogP2.60
Rot. Bonds5

About N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine

N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine (PubChem CID 79657564) has the molecular formula C14H23IN4O and a molecular weight of 390.27 g/mol. Its IUPAC name is N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
PubChem CID79657564
Molecular FormulaC14H23IN4O
Molecular Weight390.27 g/mol
Exact Mass390.09
IUPAC NameN-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
SMILESCCCN1CCOC(c2nc(C)c(I)c(NCC)n2)C1
InChIInChI=1S/C14H23IN4O/c1-4-6-19-7-8-20-11(9-19)13-17-10(3)12(15)14(18-13)16-5-2/h11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyLDTFRFIFRAKYJW-UHFFFAOYSA-N
XLogP2.60
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 52.60
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

6-ethyl-5-iodo-N-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79658035
1-[4,6-dimethyl-2-(4-propylmorpholin-2-yl)pyrimidin-5-yl]-N-methylmethanamine
CID 79657347
5-bromo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657186
5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657646
N-ethyl-5-fluoro-6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79088256
N,6-dimethyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657800
2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472072
[2-(4-ethylmorpholin-2-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 79669278
N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79668683
5-iodo-6-methyl-2-(1,4-oxathian-2-yl)-N-propylpyrimidin-4-amine
CID 79969944
5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79096567
6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde
CID 79657111

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine (CID 79657564) is N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine is CCCN1CCOC(c2nc(C)c(I)c(NCC)n2)C1.
What is the InChIKey of N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine?
The InChIKey is LDTFRFIFRAKYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IN4O/c1-4-6-19-7-8-20-11(9-19)13-17-10(3)12(15)14(18-13)16-5-2/h11H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine?
N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine has a molecular weight of 390.27 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79657564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).