5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one

C10H10IN5O — CID 137016386

IUPAC5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1cnc(CNc2nc[nH]c(=O)c2I)cn1
InChIInChI=1S/C10H10IN5O/c1-6-2-13-7(3-12-6)4-14-9-8(11)10(17)16-5-15-9/h2-3,5H,4H2,1H3,(H2,14,15,16,17)
InChIKeyYXGJMRJRGMYXSM-UHFFFAOYSA-N
MW343.13 g/mol
LogP1.09
Rot. Bonds3

About 5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one

5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 137016386) has the molecular formula C10H10IN5O and a molecular weight of 343.13 g/mol. Its IUPAC name is 5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID137016386
Molecular FormulaC10H10IN5O
Molecular Weight343.13 g/mol
Exact Mass342.99
IUPAC Name5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1cnc(CNc2nc[nH]c(=O)c2I)cn1
InChIInChI=1S/C10H10IN5O/c1-6-2-13-7(3-12-6)4-14-9-8(11)10(17)16-5-15-9/h2-3,5H,4H2,1H3,(H2,14,15,16,17)
InChIKeyYXGJMRJRGMYXSM-UHFFFAOYSA-N
XLogP1.09
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-[(3-methyl-4-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137011180
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136811579
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 136993962
4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956815
2,4-dimethyl-6-[(5-methylpyrazin-2-yl)methylamino]-1,2,4-triazine-3,5-dione
CID 62846661
4-[[2-(dimethylamino)-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136956500
4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730495
4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 137008663
5-iodo-4-(3-methylsulfanylpropylamino)-1H-pyrimidin-6-one
CID 136975807
2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785046
5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696648
4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 137003223

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 137016386) is 5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one is Cc1cnc(CNc2nc[nH]c(=O)c2I)cn1.
What is the InChIKey of 5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is YXGJMRJRGMYXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN5O/c1-6-2-13-7(3-12-6)4-14-9-8(11)10(17)16-5-15-9/h2-3,5H,4H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one?
5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 343.13 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).