5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one

C9H13IN4O2 — CID 136706913

IUPAC5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2COCCN2)c1I
InChIInChI=1S/C9H13IN4O2/c10-7-8(13-5-14-9(7)15)12-3-6-4-16-2-1-11-6/h5-6,11H,1-4H2,(H2,12,13,14,15)
InChIKeyAOOVURWYYFCWGS-UHFFFAOYSA-N
MW336.13 g/mol
LogP-0.23
Rot. Bonds3

About 5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one

5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136706913) has the molecular formula C9H13IN4O2 and a molecular weight of 336.13 g/mol. Its IUPAC name is 5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136706913
Molecular FormulaC9H13IN4O2
Molecular Weight336.13 g/mol
Exact Mass336.01
IUPAC Name5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2COCCN2)c1I
InChIInChI=1S/C9H13IN4O2/c10-7-8(13-5-14-9(7)15)12-3-6-4-16-2-1-11-6/h5-6,11H,1-4H2,(H2,12,13,14,15)
InChIKeyAOOVURWYYFCWGS-UHFFFAOYSA-N
XLogP-0.23
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 135568309
5-amino-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 135575724
5-amino-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135786490
4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706914
5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706915
5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706918
5-bromo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706920
5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706921
4-[3-(2-aminoethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730540
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783271
4-[(1-amino-3-methoxypropan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136870576
5-iodo-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 136956036

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one (CID 136706913) is 5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC2COCCN2)c1I.
What is the InChIKey of 5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is AOOVURWYYFCWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O2/c10-7-8(13-5-14-9(7)15)12-3-6-4-16-2-1-11-6/h5-6,11H,1-4H2,(H2,12,13,14,15).
What are the key properties of 5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 336.13 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136706913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).