N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine

C17H17ClN6 — CID 16911025

IUPACN-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine
SMILESCc1cc(Cl)ccc1Nc1nc(N2CCCC2)nc2nccnc12
InChIInChI=1S/C17H17ClN6/c1-11-10-12(18)4-5-13(11)21-16-14-15(20-7-6-19-14)22-17(23-16)24-8-2-3-9-24/h4-7,10H,2-3,8-9H2,1H3,(H,20,21,22,23)
InChIKeyYEDVNAYTNSVRDY-UHFFFAOYSA-N
MW340.82 g/mol
LogP3.73
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine

N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine (PubChem CID 16911025) has the molecular formula C17H17ClN6 and a molecular weight of 340.82 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine
PubChem CID16911025
Molecular FormulaC17H17ClN6
Molecular Weight340.82 g/mol
Exact Mass340.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine
SMILESCc1cc(Cl)ccc1Nc1nc(N2CCCC2)nc2nccnc12
InChIInChI=1S/C17H17ClN6/c1-11-10-12(18)4-5-13(11)21-16-14-15(20-7-6-19-14)22-17(23-16)24-8-2-3-9-24/h4-7,10H,2-3,8-9H2,1H3,(H,20,21,22,23)
InChIKeyYEDVNAYTNSVRDY-UHFFFAOYSA-N
XLogP3.73
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.82
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine
CID 16911093
4-N-(4-chloro-2-methylphenyl)-2-N-(3-chlorophenyl)pteridine-2,4-diamine
CID 16911080
4-N-(3-chloro-4-methylphenyl)-2-N-(4-chloro-2-methylphenyl)pteridine-2,4-diamine
CID 16911159
4-N-(4-chloro-2-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16911051
4-N-(4-chloro-2-methylphenyl)-2-N-(2-methylpropyl)pteridine-2,4-diamine
CID 16911069
1-[[4-(4-chloro-2-methylanilino)pteridin-2-yl]amino]propan-2-ol
CID 16911072
4-N-(4-chloro-2-methylphenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pteridine-2,4-diamine
CID 16911060
4-N-(4-chloro-2-methylphenyl)-2-N-(3-methoxyphenyl)pteridine-2,4-diamine
CID 16911086
2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol
CID 16910970
N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909339
N-(5-chloro-2-methylphenyl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960897
N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine
CID 171653777

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine (CID 16911025) is N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine is Cc1cc(Cl)ccc1Nc1nc(N2CCCC2)nc2nccnc12.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine?
The InChIKey is YEDVNAYTNSVRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6/c1-11-10-12(18)4-5-13(11)21-16-14-15(20-7-6-19-14)22-17(23-16)24-8-2-3-9-24/h4-7,10H,2-3,8-9H2,1H3,(H,20,21,22,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine?
N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine has a molecular weight of 340.82 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpteridin-4-amine is sourced from PubChem (CID 16911025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).