4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine

C13H20ClN5O — CID 106620160

IUPAC4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(CC2CC2)CC2CCCN2)n1
InChIInChI=1S/C13H20ClN5O/c1-20-13-17-11(14)16-12(18-13)19(7-9-4-5-9)8-10-3-2-6-15-10/h9-10,15H,2-8H2,1H3
InChIKeyAQDCHXGZVYLBMA-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.50
Rot. Bonds6

About 4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine

4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 106620160) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID106620160
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(CC2CC2)CC2CCCN2)n1
InChIInChI=1S/C13H20ClN5O/c1-20-13-17-11(14)16-12(18-13)19(7-9-4-5-9)8-10-3-2-6-15-10/h9-10,15H,2-8H2,1H3
InChIKeyAQDCHXGZVYLBMA-UHFFFAOYSA-N
XLogP1.50
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621436
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621336
N-butyl-4,6-dimethoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 106620394
4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine
CID 79720046
N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106620065
6-chloro-2-N,2-N-bis(cyclopropylmethyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80834947
4-chloro-N-cyclohexyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62857510
5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998327
N-(cyclopropylmethyl)-1-ethyl-N-(pyrrolidin-2-ylmethyl)imidazol-2-amine
CID 106619952
4-chloro-6-methoxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 63860663
6-chloro-2-N-(cyclopropylmethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80839478
2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 107403037

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine (CID 106620160) is 4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine is COc1nc(Cl)nc(N(CC2CC2)CC2CCCN2)n1.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is AQDCHXGZVYLBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c1-20-13-17-11(14)16-12(18-13)19(7-9-4-5-9)8-10-3-2-6-15-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 297.79 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106620160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).