4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one

C9H13ClN4O2 — CID 136972770

IUPAC4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
SMILESNCC1CN(c2nc[nH]c(=O)c2Cl)CCO1
InChIInChI=1S/C9H13ClN4O2/c10-7-8(12-5-13-9(7)15)14-1-2-16-6(3-11)4-14/h5-6H,1-4,11H2,(H,12,13,15)
InChIKeyRTOSJWZJCFYNKJ-UHFFFAOYSA-N
MW244.68 g/mol
LogP-0.41
Rot. Bonds2

About 4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one

4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one (PubChem CID 136972770) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
PubChem CID136972770
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
SMILESNCC1CN(c2nc[nH]c(=O)c2Cl)CCO1
InChIInChI=1S/C9H13ClN4O2/c10-7-8(12-5-13-9(7)15)14-1-2-16-6(3-11)4-14/h5-6H,1-4,11H2,(H,12,13,15)
InChIKeyRTOSJWZJCFYNKJ-UHFFFAOYSA-N
XLogP-0.41
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(morpholin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586606
5-chloro-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706921
4-[3-(2-aminoethoxy)propylamino]-5-chloro-1H-pyrimidin-6-one
CID 136730545
5-chloro-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749181
5-chloro-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783258
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783261
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one
CID 136783265
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783267
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136783269
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783270
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783271
5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136792834

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one (CID 136972770) is 4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one is NCC1CN(c2nc[nH]c(=O)c2Cl)CCO1.
What is the InChIKey of 4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one?
The InChIKey is RTOSJWZJCFYNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c10-7-8(12-5-13-9(7)15)14-1-2-16-6(3-11)4-14/h5-6H,1-4,11H2,(H,12,13,15).
What are the key properties of 4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one?
4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one has a molecular weight of 244.68 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136972770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).