5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol

C11H21N5O — CID 112746452

IUPAC5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol
SMILESCCCc1nc(N)nc(NCCCC(C)O)n1
InChIInChI=1S/C11H21N5O/c1-3-5-9-14-10(12)16-11(15-9)13-7-4-6-8(2)17/h8,17H,3-7H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyGOYSHQPXDZHGNY-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.98
Rot. Bonds7

About 5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol

5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol (PubChem CID 112746452) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol
PubChem CID112746452
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol
SMILESCCCc1nc(N)nc(NCCCC(C)O)n1
InChIInChI=1S/C11H21N5O/c1-3-5-9-14-10(12)16-11(15-9)13-7-4-6-8(2)17/h8,17H,3-7H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyGOYSHQPXDZHGNY-UHFFFAOYSA-N
XLogP0.98
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-6-propyl-1,3,5-triazine-2,4-diamine
CID 130532625
5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol
CID 106138204
5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138250
5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138247
2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534
2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286
4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol
CID 80991675
2-N-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 25242682
5-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163224
2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
CID 80831643
12-[(4,6-diamino-1,3,5-triazin-2-yl)amino]dodecan-1-ol
CID 139959880

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol (CID 112746452) is 5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol is CCCc1nc(N)nc(NCCCC(C)O)n1.
What is the InChIKey of 5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol?
The InChIKey is GOYSHQPXDZHGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-3-5-9-14-10(12)16-11(15-9)13-7-4-6-8(2)17/h8,17H,3-7H2,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol?
5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 112746452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).