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

C8H14ClN5O2 — CID 106248647

IUPAC4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C8H14ClN5O2/c1-16-4-5(15)2-3-11-8-13-6(9)12-7(10)14-8/h5,15H,2-4H2,1H3,(H3,10,11,12,13,14)
InChIKeySWGMZDBRPQMKOE-UHFFFAOYSA-N
MW247.69 g/mol
LogP-0.08
Rot. Bonds6

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

4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol (PubChem CID 106248647) has the molecular formula C8H14ClN5O2 and a molecular weight of 247.69 g/mol. Its IUPAC name is 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
PubChem CID106248647
Molecular FormulaC8H14ClN5O2
Molecular Weight247.69 g/mol
Exact Mass247.08
IUPAC Name4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C8H14ClN5O2/c1-16-4-5(15)2-3-11-8-13-6(9)12-7(10)14-8/h5,15H,2-4H2,1H3,(H3,10,11,12,13,14)
InChIKeySWGMZDBRPQMKOE-UHFFFAOYSA-N
XLogP-0.08
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
CID 106248811
4-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
CID 106248777
4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248707
4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248418
6-chloro-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819787
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248716
6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 122714726
6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837966
6-chloro-2-N-(3-ethoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772319
6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 80770653
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106243066
6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 107855348

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol (CID 106248647) is 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol is COCC(O)CCNc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol?
The InChIKey is SWGMZDBRPQMKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5O2/c1-16-4-5(15)2-3-11-8-13-6(9)12-7(10)14-8/h5,15H,2-4H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol?
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol has a molecular weight of 247.69 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106248647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).