6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine

C10H16ClN5 — CID 80826573

IUPAC6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NC2CC2C)n1
InChIInChI=1S/C10H16ClN5/c1-3-4-12-9-14-8(11)15-10(16-9)13-7-5-6(7)2/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyRGZNWXVRAKHHFF-UHFFFAOYSA-N
MW241.73 g/mol
LogP2.17
Rot. Bonds5

About 6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80826573) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80826573
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NC2CC2C)n1
InChIInChI=1S/C10H16ClN5/c1-3-4-12-9-14-8(11)15-10(16-9)13-7-5-6(7)2/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyRGZNWXVRAKHHFF-UHFFFAOYSA-N
XLogP2.17
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-cyclobutyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80827269
3-[[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80855943
6-chloro-2-N-(2,2-dimethylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466661
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 118932882
6-chloro-2-N-(2-ethoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80792148
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 80819257
4-N-ethyl-2-N-(2-methylcyclopropyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80826231
6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80779089
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
6-chloro-2-N-(3-methoxypropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80772028
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80827346

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80826573) is 6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NC2CC2C)n1.
What is the InChIKey of 6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RGZNWXVRAKHHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-3-4-12-9-14-8(11)15-10(16-9)13-7-5-6(7)2/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 241.73 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-methylcyclopropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80826573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).