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

C12H22ClN5O — CID 82953220

IUPAC6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(CCOC)C(C)C)n1
InChIInChI=1S/C12H22ClN5O/c1-5-6-14-11-15-10(13)16-12(17-11)18(9(2)3)7-8-19-4/h9H,5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyCVPZXWJZXWIITG-UHFFFAOYSA-N
MW287.80 g/mol
LogP2.21
Rot. Bonds8

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

6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 82953220) has the molecular formula C12H22ClN5O and a molecular weight of 287.80 g/mol. Its IUPAC name is 6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID82953220
Molecular FormulaC12H22ClN5O
Molecular Weight287.80 g/mol
Exact Mass287.15
IUPAC Name6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(N(CCOC)C(C)C)n1
InChIInChI=1S/C12H22ClN5O/c1-5-6-14-11-15-10(13)16-12(17-11)18(9(2)3)7-8-19-4/h9H,5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyCVPZXWJZXWIITG-UHFFFAOYSA-N
XLogP2.21
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.80
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-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
4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 82961053
2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80821370
2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80787122
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80806563
4-N-ethyl-6-methoxy-2-N-(2-methoxyethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 82952492
6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80838043
6-chloro-2-N-(3-methoxypropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80772028
6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219
6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80809869
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methoxyethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 82943478
6-ethoxy-2-N-ethyl-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80790033

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 82953220) is 6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(N(CCOC)C(C)C)n1.
What is the InChIKey of 6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CVPZXWJZXWIITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN5O/c1-5-6-14-11-15-10(13)16-12(17-11)18(9(2)3)7-8-19-4/h9H,5-8H2,1-4H3,(H,14,15,16,17).
What are the key properties of 6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 287.80 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 82953220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).