1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol

C9H16ClN5O — CID 62864855

IUPAC1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C9H16ClN5O/c1-6(16)5-15(4)9-12-7(10)11-8(13-9)14(2)3/h6,16H,5H2,1-4H3
InChIKeyYAKSCQFHFFQXSK-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.41
Rot. Bonds4

About 1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol

1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol (PubChem CID 62864855) has the molecular formula C9H16ClN5O and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
PubChem CID62864855
Molecular FormulaC9H16ClN5O
Molecular Weight245.71 g/mol
Exact Mass245.10
IUPAC Name1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C9H16ClN5O/c1-6(16)5-15(4)9-12-7(10)11-8(13-9)14(2)3/h6,16H,5H2,1-4H3
InChIKeyYAKSCQFHFFQXSK-UHFFFAOYSA-N
XLogP0.41
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 55125237
6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 55125269
4,6-dichloro-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine
CID 62868889
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62863273
2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 55125314
6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 81061963
azane;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
CID 159451135
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 62865255
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile
CID 62864840
6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80895012
6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62869363
6-chloro-2-N-(1-cyclopropylethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 62862655

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol (CID 62864855) is 1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol is CC(O)CN(C)c1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol?
The InChIKey is YAKSCQFHFFQXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O/c1-6(16)5-15(4)9-12-7(10)11-8(13-9)14(2)3/h6,16H,5H2,1-4H3.
What are the key properties of 1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol?
1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol has a molecular weight of 245.71 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol is sourced from PubChem (CID 62864855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).