(1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol

C7H14N6O — CID 130568272

IUPAC(1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol
SMILESCCNc1nc(N)nc([C@@H](O)CN)n1
InChIInChI=1S/C7H14N6O/c1-2-10-7-12-5(4(14)3-8)11-6(9)13-7/h4,14H,2-3,8H2,1H3,(H3,9,10,11,12,13)/t4-/m0/s1
InChIKeyRXMUKYYYTFBVIP-BYPYZUCNSA-N
MW198.23 g/mol
LogP-1.12
Rot. Bonds4

About (1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol

(1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol (PubChem CID 130568272) has the molecular formula C7H14N6O and a molecular weight of 198.23 g/mol. Its IUPAC name is (1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol
PubChem CID130568272
Molecular FormulaC7H14N6O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name(1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol
SMILESCCNc1nc(N)nc([C@@H](O)CN)n1
InChIInChI=1S/C7H14N6O/c1-2-10-7-12-5(4(14)3-8)11-6(9)13-7/h4,14H,2-3,8H2,1H3,(H3,9,10,11,12,13)/t4-/m0/s1
InChIKeyRXMUKYYYTFBVIP-BYPYZUCNSA-N
XLogP-1.12
TPSA122.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol with MolForge

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Related Compounds

2-N-ethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 130532627
2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19357503
6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 141023306
2-N-ethyl-6-propyl-1,3,5-triazine-2,4-diamine
CID 130532625
1-amino-3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 90384799
2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol
CID 91501774
2-N,4-N-diethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 53431514
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
6-(1-chloroethyl)-2-N-(2-chloroprop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 130561089
6-(1-chloroethyl)-2-N-(2,2-difluoroethyl)-1,3,5-triazine-2,4-diamine
CID 130561101
1-[[6-amino-4,8-bis(ethylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propan-2-ol;hydrochloride
CID 134520314
5-[(4-amino-6-propyl-1,3,5-triazin-2-yl)amino]pentan-2-ol
CID 112746452

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol?
The IUPAC name of (1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol (CID 130568272) is (1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol.
What is the SMILES notation for (1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol?
The canonical SMILES for (1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol is CCNc1nc(N)nc([C@@H](O)CN)n1.
What is the InChIKey of (1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol?
The InChIKey is RXMUKYYYTFBVIP-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H14N6O/c1-2-10-7-12-5(4(14)3-8)11-6(9)13-7/h4,14H,2-3,8H2,1H3,(H3,9,10,11,12,13)/t4-/m0/s1.
What are the key properties of (1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol?
(1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol has a molecular weight of 198.23 g/mol, XLogP of -1.12, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]ethanol is sourced from PubChem (CID 130568272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).