sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride

C5H7ClN3NaO — CID 175737665

IUPACsodium;4-chloro-6-methoxypyrimidin-2-amine;hydride
SMILESCOc1cc(Cl)nc(N)n1.[H-].[Na+]
InChIInChI=1S/C5H6ClN3O.Na.H/c1-10-4-2-3(6)8-5(7)9-4;;/h2H,1H3,(H2,7,8,9);;/q;+1;-1
InChIKeyTZXRJNNYZDGYEQ-UHFFFAOYSA-N
MW183.57 g/mol
LogP-2.16
Rot. Bonds1

About sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride

sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride (PubChem CID 175737665) has the molecular formula C5H7ClN3NaO and a molecular weight of 183.57 g/mol. Its IUPAC name is sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride.

Molecular Properties

Compound Namesodium;4-chloro-6-methoxypyrimidin-2-amine;hydride
PubChem CID175737665
Molecular FormulaC5H7ClN3NaO
Molecular Weight183.57 g/mol
Exact Mass183.02
IUPAC Namesodium;4-chloro-6-methoxypyrimidin-2-amine;hydride
SMILESCOc1cc(Cl)nc(N)n1.[H-].[Na+]
InChIInChI=1S/C5H6ClN3O.Na.H/c1-10-4-2-3(6)8-5(7)9-4;;/h2H,1H3,(H2,7,8,9);;/q;+1;-1
InChIKeyTZXRJNNYZDGYEQ-UHFFFAOYSA-N
XLogP-2.16
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.57
LogP ≤ 5-2.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride?
The IUPAC name of sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride (CID 175737665) is sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride.
What is the SMILES notation for sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride?
The canonical SMILES for sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride is COc1cc(Cl)nc(N)n1.[H-].[Na+].
What is the InChIKey of sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride?
The InChIKey is TZXRJNNYZDGYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O.Na.H/c1-10-4-2-3(6)8-5(7)9-4;;/h2H,1H3,(H2,7,8,9);;/q;+1;-1.
What are the key properties of sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride?
sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride has a molecular weight of 183.57 g/mol, XLogP of -2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride is sourced from PubChem (CID 175737665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).