4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine

C9H14Cl2N4 — CID 87963058

IUPAC4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine
SMILESCCCCCNc1nc(Cl)c(N)c(Cl)n1
InChIInChI=1S/C9H14Cl2N4/c1-2-3-4-5-13-9-14-7(10)6(12)8(11)15-9/h2-5,12H2,1H3,(H,13,14,15)
InChIKeyUNQNYFLTXKGVDL-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.97
Rot. Bonds5

About 4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine

4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine (PubChem CID 87963058) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.14 g/mol. Its IUPAC name is 4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine
PubChem CID87963058
Molecular FormulaC9H14Cl2N4
Molecular Weight249.14 g/mol
Exact Mass248.06
IUPAC Name4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine
SMILESCCCCCNc1nc(Cl)c(N)c(Cl)n1
InChIInChI=1S/C9H14Cl2N4/c1-2-3-4-5-13-9-14-7(10)6(12)8(11)15-9/h2-5,12H2,1H3,(H,13,14,15)
InChIKeyUNQNYFLTXKGVDL-UHFFFAOYSA-N
XLogP2.97
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329
4,6-dichloro-5-nitro-N-pentylpyrimidin-2-amine
CID 87963286
4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine
CID 134109285
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
4-chloro-N-hexylpteridin-2-amine
CID 82459697
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534
[[4-(hydroxymethylamino)-6-(octadecylamino)-1,3,5-triazin-2-yl]amino]methanol
CID 158284929
2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
CID 118119736
2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 11972201
2-N-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 25242682
5-chloro-N-hexylpyrimidin-2-amine
CID 79555195

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine?
The IUPAC name of 4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine (CID 87963058) is 4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine.
What is the SMILES notation for 4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine?
The canonical SMILES for 4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine is CCCCCNc1nc(Cl)c(N)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine?
The InChIKey is UNQNYFLTXKGVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N4/c1-2-3-4-5-13-9-14-7(10)6(12)8(11)15-9/h2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine?
4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine has a molecular weight of 249.14 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine is sourced from PubChem (CID 87963058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).