2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one

C10H9Cl2N5O — CID 135406299

IUPAC2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one
SMILESNc1nc(Nc2ccc(Cl)c(Cl)c2)c(N)c(=O)[nH]1
InChIInChI=1S/C10H9Cl2N5O/c11-5-2-1-4(3-6(5)12)15-8-7(13)9(18)17-10(14)16-8/h1-3H,13H2,(H4,14,15,16,17,18)
InChIKeyIJNXJHNKSQQGOL-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.98
Rot. Bonds2

About 2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one

2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one (PubChem CID 135406299) has the molecular formula C10H9Cl2N5O and a molecular weight of 286.12 g/mol. Its IUPAC name is 2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one
PubChem CID135406299
Molecular FormulaC10H9Cl2N5O
Molecular Weight286.12 g/mol
Exact Mass285.02
IUPAC Name2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one
SMILESNc1nc(Nc2ccc(Cl)c(Cl)c2)c(N)c(=O)[nH]1
InChIInChI=1S/C10H9Cl2N5O/c11-5-2-1-4(3-6(5)12)15-8-7(13)9(18)17-10(14)16-8/h1-3H,13H2,(H4,14,15,16,17,18)
InChIKeyIJNXJHNKSQQGOL-UHFFFAOYSA-N
XLogP1.98
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-diamino-4-anilino-1H-pyrimidin-6-one
CID 135850742
2,5-diamino-4-[(3,4-dichlorophenyl)methylamino]-1H-pyrimidin-6-one
CID 135474303
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80769033
6-amino-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
CID 136808608
N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide
CID 135496583
2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidine-5-carboxamide
CID 135854192
2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one
CID 137221313
5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione
CID 17275056
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
2-amino-4-(3,4-dichlorophenyl)-5-iodo-1H-pyrimidin-6-one
CID 135480649
7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
CID 162391536
2-N-(3,4-dichlorophenyl)-3H-benzimidazole-2,5-diamine;dihydrochloride
CID 24970676

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one (CID 135406299) is 2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one is Nc1nc(Nc2ccc(Cl)c(Cl)c2)c(N)c(=O)[nH]1.
What is the InChIKey of 2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one?
The InChIKey is IJNXJHNKSQQGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5O/c11-5-2-1-4(3-6(5)12)15-8-7(13)9(18)17-10(14)16-8/h1-3H,13H2,(H4,14,15,16,17,18).
What are the key properties of 2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one?
2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one has a molecular weight of 286.12 g/mol, XLogP of 1.98, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-(3,4-dichloroanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135406299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).