5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one

C11H11ClN4O2 — CID 137016144

IUPAC5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1ncccc1CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H11ClN4O2/c1-18-11-7(3-2-4-13-11)5-14-9-8(12)10(17)16-6-15-9/h2-4,6H,5H2,1H3,(H2,14,15,16,17)
InChIKeyJAURTAPNOTTXKC-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.44
Rot. Bonds4

About 5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one

5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 137016144) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
PubChem CID137016144
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1ncccc1CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H11ClN4O2/c1-18-11-7(3-2-4-13-11)5-14-9-8(12)10(17)16-6-15-9/h2-4,6H,5H2,1H3,(H2,14,15,16,17)
InChIKeyJAURTAPNOTTXKC-UHFFFAOYSA-N
XLogP1.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975684
5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136973831
5-amino-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136974722
4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine
CID 106192514
5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016426
6-chloro-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-4,5-diamine
CID 113229570
3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 121205932
5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974266
2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid
CID 136959393
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724314
5-chloro-4-[(5-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975243
2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine
CID 114051199

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one (CID 137016144) is 5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one is COc1ncccc1CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is JAURTAPNOTTXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-18-11-7(3-2-4-13-11)5-14-9-8(12)10(17)16-6-15-9/h2-4,6H,5H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 266.69 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).