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

C10H18ClN5O2 — CID 106198836

IUPAC2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol
SMILESCCCNc1nc(Cl)nc(NC(CO)COC)n1
InChIInChI=1S/C10H18ClN5O2/c1-3-4-12-9-14-8(11)15-10(16-9)13-7(5-17)6-18-2/h7,17H,3-6H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyBSCDQUMIAFYJQZ-UHFFFAOYSA-N
MW275.74 g/mol
LogP0.77
Rot. Bonds8

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

2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol (PubChem CID 106198836) has the molecular formula C10H18ClN5O2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol
PubChem CID106198836
Molecular FormulaC10H18ClN5O2
Molecular Weight275.74 g/mol
Exact Mass275.11
IUPAC Name2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol
SMILESCCCNc1nc(Cl)nc(NC(CO)COC)n1
InChIInChI=1S/C10H18ClN5O2/c1-3-4-12-9-14-8(11)15-10(16-9)13-7(5-17)6-18-2/h7,17H,3-6H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyBSCDQUMIAFYJQZ-UHFFFAOYSA-N
XLogP0.77
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

3-methoxy-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 106198781
6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848823
6-chloro-2-N-(3-methoxypropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80772028
2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 10708587
2-[[4-chloro-6-(1,3-dihydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 102396474
6-chloro-2-N-(3-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80803496
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646
2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311585
6-chloro-2-N-(2-ethoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80792148
3-methoxy-2-[[2-(propylamino)quinazolin-4-yl]amino]propan-1-ol
CID 106198698

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol (CID 106198836) is 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol is CCCNc1nc(Cl)nc(NC(CO)COC)n1.
What is the InChIKey of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol?
The InChIKey is BSCDQUMIAFYJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O2/c1-3-4-12-9-14-8(11)15-10(16-9)13-7(5-17)6-18-2/h7,17H,3-6H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol?
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol has a molecular weight of 275.74 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 7 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-methoxypropan-1-ol is sourced from PubChem (CID 106198836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).