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

C12H22N6O — CID 106138204

IUPAC5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C12H22N6O/c1-9(19)5-4-6-14-11-15-10(13)16-12(17-11)18-7-2-3-8-18/h9,19H,2-8H2,1H3,(H3,13,14,15,16,17)
InChIKeyUMFRBFLWGWPAKX-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.63
Rot. Bonds6

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

5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol (PubChem CID 106138204) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol
PubChem CID106138204
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C12H22N6O/c1-9(19)5-4-6-14-11-15-10(13)16-12(17-11)18-7-2-3-8-18/h9,19H,2-8H2,1H3,(H3,13,14,15,16,17)
InChIKeyUMFRBFLWGWPAKX-UHFFFAOYSA-N
XLogP0.63
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol with MolForge

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Related Compounds

2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 115327658
2-N-(3-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784864
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248707
4-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80840379
2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665
4-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80826794
6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine
CID 104767021
2-N-(2-methylsulfonylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80791674
4-hydrazinyl-N-(4-methylpentyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80904327
3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80841852
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol (CID 106138204) is 5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol is CC(O)CCCNc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol?
The InChIKey is UMFRBFLWGWPAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-9(19)5-4-6-14-11-15-10(13)16-12(17-11)18-7-2-3-8-18/h9,19H,2-8H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol?
5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol has a molecular weight of 266.35 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 106138204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).