4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one

C9H12N6O2 — CID 136978664

IUPAC4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCc2cn[nH]c2N)nc[nH]c1=O
InChIInChI=1S/C9H12N6O2/c1-17-6-8(12-4-13-9(6)16)11-2-5-3-14-15-7(5)10/h3-4H,2H2,1H3,(H3,10,14,15)(H2,11,12,13,16)
InChIKeyPTKXNMVOKNIPEK-UHFFFAOYSA-N
MW236.24 g/mol
LogP-0.30
Rot. Bonds4

About 4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136978664) has the molecular formula C9H12N6O2 and a molecular weight of 236.24 g/mol. Its IUPAC name is 4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136978664
Molecular FormulaC9H12N6O2
Molecular Weight236.24 g/mol
Exact Mass236.10
IUPAC Name4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCc2cn[nH]c2N)nc[nH]c1=O
InChIInChI=1S/C9H12N6O2/c1-17-6-8(12-4-13-9(6)16)11-2-5-3-14-15-7(5)10/h3-4H,2H2,1H3,(H3,10,14,15)(H2,11,12,13,16)
InChIKeyPTKXNMVOKNIPEK-UHFFFAOYSA-N
XLogP-0.30
TPSA121.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1H-pyrimidin-6-one
CID 136975236
2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid
CID 136959393
5-methoxy-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974266
5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136974356
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
5-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136999745
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136999749
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803553
5-methoxy-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975974
5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016426

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136978664) is 4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCc2cn[nH]c2N)nc[nH]c1=O.
What is the InChIKey of 4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is PTKXNMVOKNIPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-17-6-8(12-4-13-9(6)16)11-2-5-3-14-15-7(5)10/h3-4H,2H2,1H3,(H3,10,14,15)(H2,11,12,13,16).
What are the key properties of 4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 236.24 g/mol, XLogP of -0.30, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1H-pyrazol-4-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136978664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).