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

C10H16ClN5O — CID 81107824

IUPAC1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
SMILESCNc1nc(Cl)nc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C10H16ClN5O/c1-10(17)3-5-16(6-4-10)9-14-7(11)13-8(12-2)15-9/h17H,3-6H2,1-2H3,(H,12,13,14,15)
InChIKeyUPUVDCRVJLQPTN-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.92
Rot. Bonds2

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

1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol (PubChem CID 81107824) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
PubChem CID81107824
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
SMILESCNc1nc(Cl)nc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C10H16ClN5O/c1-10(17)3-5-16(6-4-10)9-14-7(11)13-8(12-2)15-9/h17H,3-6H2,1-2H3,(H,12,13,14,15)
InChIKeyUPUVDCRVJLQPTN-UHFFFAOYSA-N
XLogP0.92
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-[4-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 20647596
1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81108688
4-(8-azaspiro[4.5]decan-8-yl)-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80831513
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol
CID 107405815
3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 103358954
4-chloro-N-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80793568
1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
CID 107409062
4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 81109328
2-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81109320
4-chloro-N-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 102746663
4-chloro-N-methyl-6-(3,3,4-trimethylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80833964
1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
CID 107409153

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol (CID 81107824) is 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol is CNc1nc(Cl)nc(N2CCC(C)(O)CC2)n1.
What is the InChIKey of 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol?
The InChIKey is UPUVDCRVJLQPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-10(17)3-5-16(6-4-10)9-14-7(11)13-8(12-2)15-9/h17H,3-6H2,1-2H3,(H,12,13,14,15).
What are the key properties of 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol?
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol has a molecular weight of 257.72 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81107824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).