(2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol

C19H36N6O — CID 23787453

IUPAC(2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(NCCC(C)C)nc(NC2CCC(C)CC2)n1
InChIInChI=1S/C19H36N6O/c1-5-15(12-26)21-18-23-17(20-11-10-13(2)3)24-19(25-18)22-16-8-6-14(4)7-9-16/h13-16,26H,5-12H2,1-4H3,(H3,20,21,22,23,24,25)/t14?,15-,16?/m1/s1
InChIKeyDXIPCRSWISUKFK-HWOWSKLDSA-N
MW364.54 g/mol
LogP3.50
Rot. Bonds10

About (2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol

(2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 23787453) has the molecular formula C19H36N6O and a molecular weight of 364.54 g/mol. Its IUPAC name is (2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID23787453
Molecular FormulaC19H36N6O
Molecular Weight364.54 g/mol
Exact Mass364.30
IUPAC Name(2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(NCCC(C)C)nc(NC2CCC(C)CC2)n1
InChIInChI=1S/C19H36N6O/c1-5-15(12-26)21-18-23-17(20-11-10-13(2)3)24-19(25-18)22-16-8-6-14(4)7-9-16/h13-16,26H,5-12H2,1-4H3,(H3,20,21,22,23,24,25)/t14?,15-,16?/m1/s1
InChIKeyDXIPCRSWISUKFK-HWOWSKLDSA-N
XLogP3.50
TPSA94.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 23787453) is (2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol is CC[C@H](CO)Nc1nc(NCCC(C)C)nc(NC2CCC(C)CC2)n1.
What is the InChIKey of (2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is DXIPCRSWISUKFK-HWOWSKLDSA-N. The full InChI is InChI=1S/C19H36N6O/c1-5-15(12-26)21-18-23-17(20-11-10-13(2)3)24-19(25-18)22-16-8-6-14(4)7-9-16/h13-16,26H,5-12H2,1-4H3,(H3,20,21,22,23,24,25)/t14?,15-,16?/m1/s1.
What are the key properties of (2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol?
(2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 364.54 g/mol, XLogP of 3.50, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 23787453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).