2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol

C11H20ClN5O — CID 80848823

IUPAC2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
SMILESCCCNc1nc(Cl)nc(NC(CO)C(C)C)n1
InChIInChI=1S/C11H20ClN5O/c1-4-5-13-10-15-9(12)16-11(17-10)14-8(6-18)7(2)3/h7-8,18H,4-6H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyVJGGQPMCBVZMKH-UHFFFAOYSA-N
MW273.77 g/mol
LogP1.78
Rot. Bonds7

About 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol

2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol (PubChem CID 80848823) has the molecular formula C11H20ClN5O and a molecular weight of 273.77 g/mol. Its IUPAC name is 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
PubChem CID80848823
Molecular FormulaC11H20ClN5O
Molecular Weight273.77 g/mol
Exact Mass273.14
IUPAC Name2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
SMILESCCCNc1nc(Cl)nc(NC(CO)C(C)C)n1
InChIInChI=1S/C11H20ClN5O/c1-4-5-13-10-15-9(12)16-11(17-10)14-8(6-18)7(2)3/h7-8,18H,4-6H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyVJGGQPMCBVZMKH-UHFFFAOYSA-N
XLogP1.78
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol
CID 106198836
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646
3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106358209
6-chloro-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782797
6-chloro-2-N-(3-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80803496
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 79246600
6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
6-chloro-2-N-[1-(3-chlorophenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80784415
6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107818966
(2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol
CID 80835823

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol (CID 80848823) is 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol is CCCNc1nc(Cl)nc(NC(CO)C(C)C)n1.
What is the InChIKey of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
The InChIKey is VJGGQPMCBVZMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O/c1-4-5-13-10-15-9(12)16-11(17-10)14-8(6-18)7(2)3/h7-8,18H,4-6H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol?
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol has a molecular weight of 273.77 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80848823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).