6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine

C15H28ClN5 — CID 80838043

IUPAC6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(CC(C)C)C(CC)CC)n1
InChIInChI=1S/C15H28ClN5/c1-6-9-17-14-18-13(16)19-15(20-14)21(10-11(4)5)12(7-2)8-3/h11-12H,6-10H2,1-5H3,(H,17,18,19,20)
InChIKeyFOBDSAOYPJFMHN-UHFFFAOYSA-N
MW313.88 g/mol
LogP4.00
Rot. Bonds9

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

6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80838043) has the molecular formula C15H28ClN5 and a molecular weight of 313.88 g/mol. Its IUPAC name is 6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80838043
Molecular FormulaC15H28ClN5
Molecular Weight313.88 g/mol
Exact Mass313.20
IUPAC Name6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(CC(C)C)C(CC)CC)n1
InChIInChI=1S/C15H28ClN5/c1-6-9-17-14-18-13(16)19-15(20-14)21(10-11(4)5)12(7-2)8-3/h11-12H,6-10H2,1-5H3,(H,17,18,19,20)
InChIKeyFOBDSAOYPJFMHN-UHFFFAOYSA-N
XLogP4.00
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N-ethyl-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774018
6-chloro-2-N-cyclopentyl-2-N-(2-methylpropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80838063
6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 82953220
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80806563
6-chloro-2-N-cyclopropyl-2-N-(3-methylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80820771
6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107818966
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
6-chloro-4-N-ethyl-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792082
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 118932882
6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 154289566
6-chloro-2-N-(3-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80803496
6-chloro-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782797

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80838043) is 6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(N(CC(C)C)C(CC)CC)n1.
What is the InChIKey of 6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FOBDSAOYPJFMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN5/c1-6-9-17-14-18-13(16)19-15(20-14)21(10-11(4)5)12(7-2)8-3/h11-12H,6-10H2,1-5H3,(H,17,18,19,20).
What are the key properties of 6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 313.88 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80838043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).