2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride

C9H13Cl2N5OS — CID 162329318

IUPAC2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.Nc1nc(NCc2cccs2)c(N)c(=O)[nH]1
InChIInChI=1S/C9H11N5OS.2ClH/c10-6-7(13-9(11)14-8(6)15)12-4-5-2-1-3-16-5;;/h1-3H,4,10H2,(H4,11,12,13,14,15);2*1H
InChIKeySCWQRLIDKJBJLW-UHFFFAOYSA-N
MW310.21 g/mol
LogP1.45
Rot. Bonds3

About 2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride

2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 162329318) has the molecular formula C9H13Cl2N5OS and a molecular weight of 310.21 g/mol. Its IUPAC name is 2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride
PubChem CID162329318
Molecular FormulaC9H13Cl2N5OS
Molecular Weight310.21 g/mol
Exact Mass309.02
IUPAC Name2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.Nc1nc(NCc2cccs2)c(N)c(=O)[nH]1
InChIInChI=1S/C9H11N5OS.2ClH/c10-6-7(13-9(11)14-8(6)15)12-4-5-2-1-3-16-5;;/h1-3H,4,10H2,(H4,11,12,13,14,15);2*1H
InChIKeySCWQRLIDKJBJLW-UHFFFAOYSA-N
XLogP1.45
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride (CID 162329318) is 2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride is Cl.Cl.Nc1nc(NCc2cccs2)c(N)c(=O)[nH]1.
What is the InChIKey of 2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is SCWQRLIDKJBJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS.2ClH/c10-6-7(13-9(11)14-8(6)15)12-4-5-2-1-3-16-5;;/h1-3H,4,10H2,(H4,11,12,13,14,15);2*1H.
What are the key properties of 2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride?
2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 310.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-(thiophen-2-ylmethylamino)-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 162329318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).