2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine

C15H24ClN5 — CID 62864514

IUPAC2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCCCC1CCN(c2nc(Cl)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C15H24ClN5/c1-2-5-12-6-10-21(11-7-12)15-18-13(16)17-14(19-15)20-8-3-4-9-20/h12H,2-11H2,1H3
InChIKeyZQEFRTXMXZUIJK-UHFFFAOYSA-N
MW309.85 g/mol
LogP3.14
Rot. Bonds4

About 2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine

2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 62864514) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is 2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID62864514
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC Name2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCCCC1CCN(c2nc(Cl)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C15H24ClN5/c1-2-5-12-6-10-21(11-7-12)15-18-13(16)17-14(19-15)20-8-3-4-9-20/h12H,2-11H2,1H3
InChIKeyZQEFRTXMXZUIJK-UHFFFAOYSA-N
XLogP3.14
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80837274
3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine
CID 115000548
4-propyl-1-(3,5,6-trichloro-2-pyridinyl)azepane
CID 102751213
2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine
CID 114043962
2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
CID 106659250
2-chloro-4-(4-ethyl-3-methylpiperazin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 63615539
4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80796310
4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62864587
1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-amine
CID 129011540
2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine
CID 114268258
2-chloro-4-(2-ethylcyclohexyl)oxy-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62869087
2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 103536639

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine (CID 62864514) is 2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine is CCCC1CCN(c2nc(Cl)nc(N3CCCC3)n2)CC1.
What is the InChIKey of 2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is ZQEFRTXMXZUIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-2-5-12-6-10-21(11-7-12)15-18-13(16)17-14(19-15)20-8-3-4-9-20/h12H,2-11H2,1H3.
What are the key properties of 2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 309.85 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62864514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).