N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine

C11H17IN4O — CID 113459925

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
SMILESCCN1CCOC(CNc2ncc(I)cn2)C1
InChIInChI=1S/C11H17IN4O/c1-2-16-3-4-17-10(8-16)7-15-11-13-5-9(12)6-14-11/h5-6,10H,2-4,7-8H2,1H3,(H,13,14,15)
InChIKeyJQRCEVPNZGXRNZ-UHFFFAOYSA-N
MW348.19 g/mol
LogP1.21
Rot. Bonds4

About N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine

N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine (PubChem CID 113459925) has the molecular formula C11H17IN4O and a molecular weight of 348.19 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
PubChem CID113459925
Molecular FormulaC11H17IN4O
Molecular Weight348.19 g/mol
Exact Mass348.04
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
SMILESCCN1CCOC(CNc2ncc(I)cn2)C1
InChIInChI=1S/C11H17IN4O/c1-2-16-3-4-17-10(8-16)7-15-11-13-5-9(12)6-14-11/h5-6,10H,2-4,7-8H2,1H3,(H,13,14,15)
InChIKeyJQRCEVPNZGXRNZ-UHFFFAOYSA-N
XLogP1.21
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 51.21
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

N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204537
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylimidazol-2-amine
CID 114400676
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]quinoxalin-2-amine
CID 95319257
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
6-ethoxy-2-N-[(4-ethylmorpholin-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114401465
N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine
CID 114222859
N-[(4-ethylmorpholin-2-yl)methyl]-6-nitropyridin-3-amine
CID 115633969
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
CID 115681758
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 114400659

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine (CID 113459925) is N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine is CCN1CCOC(CNc2ncc(I)cn2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine?
The InChIKey is JQRCEVPNZGXRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O/c1-2-16-3-4-17-10(8-16)7-15-11-13-5-9(12)6-14-11/h5-6,10H,2-4,7-8H2,1H3,(H,13,14,15).
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine has a molecular weight of 348.19 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine is sourced from PubChem (CID 113459925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).