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

C13H24ClN5O — CID 106288996

IUPAC1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol
SMILESCCCNc1nc(Cl)nc(NCC(O)C(CC)CC)n1
InChIInChI=1S/C13H24ClN5O/c1-4-7-15-12-17-11(14)18-13(19-12)16-8-10(20)9(5-2)6-3/h9-10,20H,4-8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyKEYIJAVYPWBLFH-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.56
Rot. Bonds9

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

1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol (PubChem CID 106288996) has the molecular formula C13H24ClN5O and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol
PubChem CID106288996
Molecular FormulaC13H24ClN5O
Molecular Weight301.82 g/mol
Exact Mass301.17
IUPAC Name1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol
SMILESCCCNc1nc(Cl)nc(NCC(O)C(CC)CC)n1
InChIInChI=1S/C13H24ClN5O/c1-4-7-15-12-17-11(14)18-13(19-12)16-8-10(20)9(5-2)6-3/h9-10,20H,4-8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyKEYIJAVYPWBLFH-UHFFFAOYSA-N
XLogP2.56
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159512
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
6-chloro-2-N-(3-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80803496
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
6-chloro-2-N-(2,2-dimethylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466661
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646
3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106289027
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848823
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
6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107818966
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 80819257

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol (CID 106288996) is 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol is CCCNc1nc(Cl)nc(NCC(O)C(CC)CC)n1.
What is the InChIKey of 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol?
The InChIKey is KEYIJAVYPWBLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5O/c1-4-7-15-12-17-11(14)18-13(19-12)16-8-10(20)9(5-2)6-3/h9-10,20H,4-8H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol?
1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol has a molecular weight of 301.82 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol is sourced from PubChem (CID 106288996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).