2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

C10H16ClN5O — CID 3121123

IUPAC2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESC=CCNc1nc(Cl)nc(NC(C)(C)CO)n1
InChIInChI=1S/C10H16ClN5O/c1-4-5-12-8-13-7(11)14-9(15-8)16-10(2,3)6-17/h4,17H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKeyFWHHWEMWOZGSKV-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.31
Rot. Bonds6

About 2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 3121123) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID3121123
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESC=CCNc1nc(Cl)nc(NC(C)(C)CO)n1
InChIInChI=1S/C10H16ClN5O/c1-4-5-12-8-13-7(11)14-9(15-8)16-10(2,3)6-17/h4,17H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKeyFWHHWEMWOZGSKV-UHFFFAOYSA-N
XLogP1.31
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

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Related Compounds

2-(4-Allylamino-6-methoxy-[1,3,5]triazin-2-ylamino)-2-methyl-propan-1-ol
CID 3121124
2-{[4-(Allylamino)-6-ethoxy-1,3,5-triazin-2-yl]amino}-2-methylpropan-1-ol
CID 3238010
2-{[4-(Tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino}ethanol
CID 535405
2-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 779516
2-{[4-Chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino}-2-methylpropan-1-ol
CID 684284
N~2~-allyl-N~4~-(tert-butyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 4287366
2-[[4-Chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 24017317
2-{[4-(Allylamino)-6-chloro-1,3,5-triazin-2-yl]amino}ethanol
CID 2054853
2-[[4-Chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 22333149
(2R)-2-[[4-(3-methylbutylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23844988
(2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23872926
2-{[4-Chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino}-2-methyl-1-propanol
CID 56688374

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (CID 3121123) is 2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is C=CCNc1nc(Cl)nc(NC(C)(C)CO)n1.
What is the InChIKey of 2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is FWHHWEMWOZGSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-4-5-12-8-13-7(11)14-9(15-8)16-10(2,3)6-17/h4,17H,1,5-6H2,2-3H3,(H2,12,13,14,15,16).
What are the key properties of 2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 257.72 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 3121123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).